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	hartrees
Energy at 0K	-132.671019
Energy at 298.15K	-132.673588
HF Energy	-132.482667
Nuclear repulsion energy	59.712619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3363	27.98
2	A'	3194	3065	10.50
3	A'	2108	2022	406.64
4	A'	1448	1389	4.69
5	A'	1160	1113	16.07
6	A'	1020	979	217.68
7	A'	717	688	87.93
8	A'	484	464	22.80
9	A"	3278	3145	1.40
10	A"	1008	967	0.04
11	A"	899	863	50.81
12	A"	422	405	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.128	-1.243	0.000
C2	0.000	0.058	0.000
N3	-0.243	1.256	0.000
H4	0.189	-1.781	0.931
H5	0.189	-1.781	-0.931
H6	0.558	1.880	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3078	2.5264	1.0769	1.0769	3.1529
C2	1.3078		1.2219	2.0699	2.0699	1.9054
N3	2.5264	1.2219		3.2052	3.2052	1.0158
H4	1.0769	2.0699	3.2052		1.8625	3.7953
H5	1.0769	2.0699	3.2052	1.8625		3.7953
H6	3.1529	1.9054	1.0158	3.7953	3.7953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.125	C2	C1	H4	120.140
C2	C1	H5	120.140	C2	N3	H6	116.452
H4	C1	H5	119.711

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)