PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
di-n-propyl zinc
3715 Di-n-propyl zinc
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ΔHf: -2.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.1 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
PM7
Di-n-propyl zinc
H=-2.9 D=0.1 HR=C&P1970 DR=MCC1974
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53822506 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51688177 +1 111.1036015 +1 0.0000000 +0 2 1 0
C 4.01284791 +1 114.6757066 +1 179.9862914 +1 3 2 1
C 1.51762643 +1 112.9091719 +1 162.4963938 +1 4 3 2
C 1.53827340 +1 111.0650175 +1 -179.9960300 +1 5 4 3
Zn 2.00685691 +1 0.5347744 +1 0.2640108 +1 4 3 2
H 1.09311322 +1 111.5082572 +1 179.9348849 +1 6 5 4
H 1.09431583 +1 110.9891103 +1 59.5936582 +1 6 5 4
H 1.09433356 +1 110.9959155 +1 -59.7154883 +1 6 5 4
H 1.10754716 +1 110.9240158 +1 58.8796257 +1 5 4 3
H 1.10751980 +1 110.9409243 +1 -58.8796428 +1 5 4 3
H 1.09168597 +1 106.1492055 +1 39.7765045 +1 4 3 2
H 1.09156761 +1 105.9700495 +1 -74.8972417 +1 4 3 2
H 1.09217453 +1 111.7107612 +1 60.5587082 +1 3 2 1
H 1.09216113 +1 111.6958470 +1 -60.6027866 +1 3 2 1
H 1.10747594 +1 108.8063864 +1 122.3768800 +1 2 1 3
H 1.10748116 +1 108.8018058 +1 -122.3616850 +1 2 1 3
H 1.09311437 +1 111.4997998 +1 -179.8296588 +1 1 2 3
H 1.09430624 +1 110.9948251 +1 59.8388424 +1 1 2 3
H 1.09431501 +1 111.0041403 +1 -59.4886710 +1 1 2 3