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	hartrees
Energy at 0K	-131.879534
Energy at 298.15K	-131.882261
HF Energy	-131.879534
Nuclear repulsion energy	60.141141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3746	3381	34.57
2	A'	3343	3018	6.95
3	A'	2272	2051	541.06
4	A'	1580	1426	0.70
5	A'	1259	1136	38.27
6	A'	1128	1019	214.49
7	A'	858	775	110.00
8	A'	520	469	25.93
9	A"	3438	3103	0.00
10	A"	1106	998	1.14
11	A"	980	885	72.49
12	A"	461	416	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.285	-1.208	0.000
C2	0.000	0.062	0.000
N3	0.193	1.258	0.000
H4	-0.402	-1.732	0.928
H5	-0.402	-1.732	-0.928
H6	1.160	1.533	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3010	2.5114	1.0725	1.0725	3.0977
C2	1.3010		1.2115	2.0591	2.0591	1.8731
N3	2.5114	1.2115		3.1864	3.1864	1.0049
H4	1.0725	2.0591	3.1864		1.8570	3.7359
H5	1.0725	2.0591	3.1864	1.8570		3.7359
H6	3.0977	1.8731	1.0049	3.7359	3.7359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.539	C2	C1	H4	120.036
C2	C1	H5	120.036	C2	N3	H6	115.047
H4	C1	H5	119.928

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/6-31G**

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	-0.410
2	C	0.437
3	N	-0.665
4	H	0.168
5	H	0.168
6	H	0.302

	x	y	z	Total
	1.487	-1.037	0.000	1.813
CHELPG
AIM
ESP

	x	y	z
x	2.293	1.296	0.000
y	1.296	6.644	0.000
z	0.000	0.000	2.397

<r²>	43.381
(<r²>)^1/2	6.586

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)