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	hartrees
Energy at 0K	-132.363214
Energy at 298.15K	-132.365762
HF Energy	-131.892847
Nuclear repulsion energy	58.877459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3492	16.13
2	A'	3196	3196	5.99
3	A'	2094	2094	348.74
4	A'	1448	1448	1.61
5	A'	1147	1147	31.96
6	A'	1071	1071	169.92
7	A'	730	730	79.31
8	A'	458	458	17.78
9	A"	3300	3300	0.12
10	A"	1004	1004	1.13
11	A"	912	912	46.80
12	A"	406	406	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.123	-1.262	0.000
C2	0.000	0.061	0.000
N3	-0.243	1.278	0.000
H4	0.183	-1.803	0.945
H5	0.183	-1.803	-0.945
H6	0.597	1.866	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3287	2.5665	1.0902	1.0902	3.1639
C2	1.3287		1.2413	2.0977	2.0977	1.9013
N3	2.5665	1.2413		3.2509	3.2509	1.0253
H4	1.0902	2.0977	3.2509		1.8891	3.8114
H5	1.0902	2.0977	3.2509	1.8891		3.8114
H6	3.1639	1.9013	1.0253	3.8114	3.8114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.025	C2	C1	H4	119.951
C2	C1	H5	119.951	C2	N3	H6	113.698
H4	C1	H5	120.089

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)