PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-pyrrolidinone
936 2-Pyrrolidinone
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ΔHf: -47.2 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
2-Pyrrolidinone
H=-47.17 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53832747 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.55296281 +1 106.1418003 +1 0.0000000 +0 2 1 0
N 1.46834745 +1 105.2613275 +1 0.2569598 +1 3 2 1
C 1.38183387 +1 113.3716316 +1 -0.1602277 +1 4 3 2
O 1.20815863 +1 123.0053494 +1 -179.9736384 +1 5 4 3
H 1.10476215 +1 112.4434095 +1 -120.4935088 +1 1 2 3
H 1.10484976 +1 112.4205968 +1 -119.5479692 +1 1 2 7
H 1.10177303 +1 111.2675741 +1 -120.8269164 +1 2 1 3
H 1.10184863 +1 111.2647235 +1 -118.3966109 +1 2 1 9
H 1.10979209 +1 111.5241717 +1 -119.6973284 +1 3 2 4
H 1.10966306 +1 111.5407444 +1 -120.5706428 +1 3 2 11
H 0.99689325 +1 121.6886113 +1 -179.8879768 +1 4 3 5