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	hartrees
Energy at 0K	-131.985210
Energy at 298.15K	-131.987859
HF Energy	-131.985210
Nuclear repulsion energy	59.240585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3227	3.73
2	A'	3177	3068	5.30
3	A'	2148	2074	238.66
4	A'	1484	1433	10.27
5	A'	1169	1129	4.11
6	A'	1010	975	322.04
7	A'	757	731	139.55
8	A'	525	507	29.89
9	A"	3257	3146	0.01
10	A"	1054	1018	1.13
11	A"	926	894	66.02
12	A"	460	444	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-1.259	0.000
C2	0.000	0.056	0.000
N3	-0.091	1.282	0.000
H4	-0.022	-1.813	0.932
H5	-0.022	-1.813	-0.932
H6	0.760	1.869	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3147	2.5418	1.0845	1.0845	3.2218
C2	1.3147		1.2293	2.0886	2.0886	1.9659
N3	2.5418	1.2293		3.2329	3.2329	1.0340
H4	1.0845	2.0886	3.2329		1.8642	3.8778
H5	1.0845	2.0886	3.2329	1.8642		3.8778
H6	3.2218	1.9659	1.0340	3.8778	3.8778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.184	C2	C1	H4	120.741
C2	C1	H5	120.741	C2	N3	H6	120.347
H4	C1	H5	118.517

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/3-21G*

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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Number	Element	Mulliken
1	C	-0.434
2	C	0.395
3	N	-0.743
4	H	0.240
5	H	0.240
6	H	0.303

	x	y	z	Total
	1.651	-0.145	0.000	1.657
CHELPG
AIM
ESP

	x	y	z
x	1.503	0.306	0.000
y	0.306	6.916	0.000
z	0.000	0.000	2.141

<r²>	44.252
(<r²>)^1/2	6.652

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/3-21G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)