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	hartrees
Energy at 0K	-132.657979
Energy at 298.15K	-132.660547
HF Energy	-132.657979
Nuclear repulsion energy	59.513282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3365	38.97
2	A'	3204	3051	16.13
3	A'	2164	2060	468.78
4	A'	1450	1380	3.23
5	A'	1185	1128	21.71
6	A'	1002	954	196.91
7	A'	751	716	114.96
8	A'	478	455	25.76
9	A"	3301	3143	2.44
10	A"	1004	956	0.64
11	A"	906	863	66.20
12	A"	424	404	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.047	-1.253	0.000
C2	0.000	0.059	0.000
N3	-0.160	1.274	0.000
H4	0.071	-1.794	0.937
H5	0.071	-1.794	-0.937
H6	0.697	1.828	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3127	2.5353	1.0821	1.0821	3.1485
C2	1.3127		1.2255	2.0774	2.0774	1.9012
N3	2.5353	1.2255		3.2159	3.2159	1.0206
H4	1.0821	2.0774	3.2159		1.8737	3.7928
H5	1.0821	2.0774	3.2159	1.8737		3.7928
H6	3.1485	1.9012	1.0206	3.7928	3.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.540	C2	C1	H4	120.026
C2	C1	H5	120.026	C2	N3	H6	115.351
H4	C1	H5	119.946

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: M06-2X/6-31+G**

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	-0.140
2	C	-0.006
3	N	-0.538
4	H	0.188
5	H	0.188
6	H	0.307

	x	y	z	Total
	1.645	-0.435	0.000	1.701
CHELPG
AIM
ESP

	x	y	z
x	3.073	-0.163	0.000
y	-0.163	7.912	0.000
z	0.000	0.000	2.867

<r²>	44.236
(<r²>)^1/2	6.651

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)