PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

V(0)N6 (DPYRDV)   3028 V(0)N6 (DPYRDV)

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    #  Species Formula
  3018 Vanadium nitrideNV
  3019 Vanadium(IV) tetracyanide 2EC4N4V
  3020 Vanadium(V) pentacyanide (Geo)C5N5V
  3021 Vanadium(V) pentacyanideC5N5V
  3022 V(II)(NH3)6H18N6V
  3023 V(II)(NH3)6 (Geo)H18N6V
  3024 V(IV)(CN)6 2T2gC6N6V
  3025 V(II)N6(2+) (BEQQIX) (Geo)C12H18N6V
  3026 V(II)N6(2+) (BEQQIX)C12H18N6V
  3027 V(0)N6 (DPYRDV) (Geo)C30H24N6V
  3028 V(0)N6 (DPYRDV) C30H24N6V
  3029 Vanadium oxideOV
  3030 Vanadium(II) oxide (Geo)OV
  3031 VC11O (BEYRIG) (Geo)C11H12OV
  3032 VC11O (BEYRIG)C11H12OV
  3033 V(IV)ON4 (CAKMAC10) (Geo)C32H34N4OV
  3034 Vanadium(IV) oxide (Geo)O2V
  3035 VC12(+) (CCPZRB) (Geo)C12H10O2V
  3036 VC12(+) (CCPZRB)C12H10O2V
  3037 Methyl vanadium(V) oxide dihydroxide (Geo)CH5O3V
  3038 Vanadium(V) tri-ethoxide oxideC6H15O4V


ΔHf: 132.2 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 UHF SEXTET RELSCF=50 PM7
V(0)N6 (DPYRDV)
 H=132.2 HR=PW91D
  C    -0.03020935 +1    0.0801975 +1   -0.1155361 +1     0     0     0
  C     1.46131034 +1   -0.6561442 +1   11.7393848 +1     1     0     0
  C     2.38546810 +1   91.4581941 +1   63.9148685 +1     1     2     0
  C     1.35895484 +1  118.6519540 +1   -6.9702592 +1     2     1     3
  C     1.45798192 +1   89.3412791 +1    7.2309982 +1     3     1     2
  N     1.39485288 +1  120.2301355 +1  -10.2144253 +1     1     2     3
  V     2.05980269 +1  123.3380049 +1  144.0779580 +1     6     1     2
  C     1.42298399 +1  147.9002272 +1  174.5184652 +1     3     1     5
  N     2.15188936 +1   99.4648255 +1  102.9754984 +1     7     6     1
  N     2.19618960 +1  102.0988987 +1  -89.8989776 +1     7     6     9
  N     2.17643397 +1  168.8202842 +1  153.4278176 +1     7     6    10
  N     1.40762110 +1  117.7286796 +1   14.8025877 +1     8     3     1
  N     2.13209931 +1   96.1442634 +1  -63.8027385 +1     7     6     1
  C     1.43656302 +1  123.0651153 +1  177.0908355 +1     8     3    12
  C     1.35050684 +1  125.0977041 +1   -2.2931466 +1     9     7     6
  C     1.38926951 +1  114.4750473 +1 -171.7241861 +1     9     7    15
  C     1.35319609 +1  126.6116576 +1   84.4545151 +1    10     7     6
  C     1.38677667 +1  114.0363585 +1  173.1561910 +1    10     7    17
  C     1.35424716 +1  124.7239349 +1  116.6284052 +1    11     7     6
  C     1.39203450 +1  112.5305745 +1  158.1101181 +1    11     7    19
  C     1.34149959 +1  119.5088801 +1  176.6342608 +1    12     8     3
  C     1.36244066 +1  124.7108803 +1  -79.0568744 +1    13     7     6
  C     1.39197759 +1  116.0934883 +1 -171.3020421 +1    13     7    22
  C     1.37438844 +1  119.8335926 +1 -176.1554922 +1    14     8     3
  C     1.39414333 +1  122.3901692 +1 -170.5592402 +1    15     9     7
  C     1.42703101 +1  119.3905097 +1  170.7401599 +1    16     9     7
  C     1.39515932 +1  122.5466654 +1  170.7961839 +1    17    10     7
  C     1.42218778 +1  120.2587066 +1 -171.4658724 +1    18    10     7
  C     1.39362680 +1  122.5177502 +1  155.1754516 +1    19    11     7
  C     1.42454209 +1  120.1219109 +1 -158.3276886 +1    20    11     7
  C     1.40756180 +1  120.1394460 +1    0.0417080 +1    24    14     8
  C     1.38334181 +1  123.2306221 +1 -172.3978007 +1    22    13     7
  C     1.42968817 +1  119.7483872 +1  173.4003524 +1    23    13     7
  C     1.40954483 +1  118.3933090 +1    0.4170293 +1    25    15     9
  C     1.40385582 +1  118.8338440 +1    0.4797909 +1    27    17    10
  C     1.40748892 +1  118.7320345 +1    0.7771881 +1    29    19    11
  C     1.41659752 +1  118.5040510 +1    0.3506991 +1    32    22    13
  H     1.08116761 +1  121.9246696 +1  176.5241677 +1     1     2     6
  H     1.08307065 +1  117.9370377 +1 -177.7758965 +1     2     1     4
  H     1.08863426 +1  121.5000187 +1 -176.1751495 +1     4     2     1
  H     1.07732304 +1  119.7155996 +1 -179.8966806 +1     5     3     1
  H     1.08384559 +1  118.8961505 +1 -179.9085246 +1    14     8    24
  H     1.10423595 +1  116.1465105 +1 -179.6523251 +1    15     9    25
  H     1.10067111 +1  116.7911820 +1 -179.7922732 +1    17    10    27
  H     1.10075445 +1  116.2591165 +1  179.7400735 +1    19    11    29
  H     1.10033766 +1  116.1494042 +1 -179.4296919 +1    21    12     8
  H     1.10268588 +1  116.0599296 +1 -179.4545457 +1    22    13    32
  H     1.08879851 +1  120.4057013 +1 -179.8611976 +1    24    14    31
  H     1.07968838 +1  120.9758355 +1 -179.6109100 +1    25    15    34
  H     1.08387860 +1  119.1841572 +1 -179.1835623 +1    26    16     9
  H     1.08225557 +1  120.5332678 +1 -179.3842577 +1    27    17    35
  H     1.08530468 +1  119.2330957 +1  178.9265322 +1    28    18    10
  H     1.08146632 +1  120.6949213 +1 -179.4887581 +1    29    19    36
  H     1.08403642 +1  119.3452177 +1  179.5233300 +1    30    20    11
  H     1.08053820 +1  120.9418306 +1  179.1409181 +1    31    24    14
  H     1.08088286 +1  121.2729971 +1 -179.5664272 +1    32    22    37
  H     1.08621100 +1  118.5711265 +1  179.2584397 +1    33    23    13
  H     1.08878025 +1  119.0701935 +1  179.7138126 +1    34    25    15
  H     1.08924122 +1  119.8081786 +1 -178.9597635 +1    35    27    17
  H     1.08944677 +1  119.1932265 +1 -179.2675363 +1    36    29    19
  H     1.08775441 +1  119.2952991 +1 -179.5014494 +1    37    32    22