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	hartrees
Energy at 0K	-131.790449
Energy at 298.15K	-131.793104
HF Energy	-131.690837
Nuclear repulsion energy	59.313906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3394	3394	8.18
2	A'	3208	3208	7.48
3	A'	2155	2155	237.95
4	A'	1509	1509	10.35
5	A'	1171	1171	3.83
6	A'	1003	1003	357.16
7	A'	779	779	133.30
8	A'	517	517	30.84
9	A"	3289	3289	0.01
10	A"	1076	1076	1.80
11	A"	933	933	67.02
12	A"	458	458	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.049	-1.258	0.000
C2	0.000	0.056	0.000
N3	-0.051	1.282	0.000
H4	-0.074	-1.812	0.928
H5	-0.074	-1.812	-0.928
H6	0.802	1.856	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3145	2.5400	1.0813	1.0813	3.2279
C2	1.3145		1.2275	2.0870	2.0870	1.9706
N3	2.5400	1.2275		3.2304	3.2304	1.0280
H4	1.0813	2.0870	3.2304		1.8563	3.8834
H5	1.0813	2.0870	3.2304	1.8563		3.8834
H6	3.2279	1.9706	1.0280	3.8834	3.8834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.459	C2	C1	H4	120.863
C2	C1	H5	120.863	C2	N3	H6	121.531
H4	C1	H5	118.273

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP/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	-0.407
2	C	0.382
3	N	-0.720
4	H	0.222
5	H	0.222
6	H	0.300

	x	y	z	Total
	1.657	-0.050	0.000	1.658
CHELPG
AIM
ESP

	x	y	z
x	1.469	0.435	0.000
y	0.435	6.894	0.000
z	0.000	0.000	2.104

<r²>	44.304
(<r²>)^1/2	6.656

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)