PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cyclopentadienyl manganese tricarbonyl
3246 Cyclopentadienyl manganese tricarbonyl
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ΔHf: -115.2 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Cyclopentadienyl manganese tricarbonyl
H=-115.2 HR=NIST
Mn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.19595036 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.45059207 +1 70.4004860 +1 0.0000000 +0 2 1 0
C 1.45823637 +1 107.5814676 +1 61.6523829 +1 3 2 1
C 1.44152187 +1 108.2334202 +1 -0.8628038 +1 4 3 2
C 1.44599345 +1 70.5011919 +1 118.8442826 +1 2 1 3
H 1.08426733 +1 128.7687199 +1 120.6734630 +1 2 1 6
H 1.08056328 +1 126.1525960 +1 173.2495740 +1 3 2 4
H 1.08341385 +1 125.4571275 +1 174.8231935 +1 4 3 5
H 1.08248348 +1 126.2386539 +1 174.5631860 +1 5 4 3
H 1.08112782 +1 126.2688059 +1 125.1355681 +1 6 2 1
C 1.83658373 +1 131.4149899 +1 -151.3581417 +1 1 2 3
C 1.83648247 +1 90.5728810 +1 -92.1444585 +1 1 2 12
C 1.83648797 +1 137.0120623 +1 -92.0611732 +1 1 2 13
O 1.15101217 +1 153.4721299 +1 -179.5542434 +1 12 2 1
O 1.15102954 +1 130.3418905 +1 179.8770735 +1 13 2 1
O 1.15095440 +1 156.6052947 +1 179.1587425 +1 14 2 1