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	hartrees
Energy at 0K	-132.770191
Energy at 298.15K	-132.772745
HF Energy	-132.770191
Nuclear repulsion energy	59.617860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3340	11.85
2	A'	3161	3061	6.53
3	A'	2111	2044	359.15
4	A'	1439	1393	4.98
5	A'	1160	1123	18.08
6	A'	1036	1003	205.39
7	A'	700	678	90.70
8	A'	481	466	19.69
9	A"	3248	3145	0.40
10	A"	998	966	0.02
11	A"	903	874	50.44
12	A"	415	402	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.187	-1.236	0.000
C2	0.000	0.059	0.000
N3	-0.306	1.244	0.000
H4	0.274	-1.775	0.933
H5	0.274	-1.775	-0.933
H6	0.471	1.905	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3089	2.5284	1.0810	1.0810	3.1542
C2	1.3089		1.2233	2.0762	2.0762	1.9050
N3	2.5284	1.2233		3.2125	3.2125	1.0202
H4	1.0810	2.0762	3.2125		1.8661	3.8017
H5	1.0810	2.0762	3.2125	1.8661		3.8017
H6	3.1542	1.9050	1.0202	3.8017	3.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.729	C2	C1	H4	120.323
C2	C1	H5	120.323	C2	N3	H6	115.938
H4	C1	H5	119.344

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	C	-0.397
2	C	0.156
3	N	-0.173
4	H	0.123
5	H	0.123
6	H	0.169

	x	y	z	Total
	1.425	-0.148	0.000	1.432
CHELPG
AIM
ESP

	x	y	z
x	3.060	-0.552	0.000
y	-0.552	7.617	0.000
z	0.000	0.000	3.121

<r²>	43.879
(<r²>)^1/2	6.624

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)