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	hartrees
Energy at 0K	-131.043763
Energy at 298.15K	-131.046145
HF Energy	-131.043763
Nuclear repulsion energy	58.105037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3404	3404	4.88
2	A'	3392	3392	52.68
3	A'	2197	2197	67.12
4	A'	1567	1567	1.79
5	A'	1188	1188	62.62
6	A'	1172	1172	77.40
7	A'	794	794	51.05
8	A'	431	431	11.98
9	A"	3534	3534	6.70
10	A"	1075	1075	0.04
11	A"	984	984	28.47
12	A"	386	386	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.793	-0.994	0.000
C2	0.000	0.064	0.000
N3	-0.935	0.932	0.000
H4	1.149	-1.435	0.939
H5	1.149	-1.435	-0.939
H6	-0.513	1.925	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3217	2.5871	1.0965	1.0965	3.1974
C2	1.3217		1.2758	2.1087	2.1087	1.9307
N3	2.5871	1.2758		3.2900	3.2900	1.0792
H4	1.0965	2.1087	3.2900		1.8773	3.8640
H5	1.0965	2.1087	3.2900	1.8773		3.8640
H6	3.1974	1.9307	1.0792	3.8640	3.8640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	169.758	C2	C1	H4	121.104
C2	C1	H5	121.104	C2	N3	H6	109.852
H4	C1	H5	117.748

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/STO-3G

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	-0.205
2	C	0.101
3	N	-0.265
4	H	0.092
5	H	0.092
6	H	0.184

	x	y	z	Total
	1.384	0.579	0.000	1.500
CHELPG
AIM
ESP

	x	y	z
x	2.125	-1.963	0.000
y	-1.963	3.747	0.000
z	0.000	0.000	1.216

<r²>	44.583
(<r²>)^1/2	6.677

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)