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	hartrees
Energy at 0K	-132.671274
Energy at 298.15K	-132.673835
HF Energy	-132.671274
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3348	21.28
2	A'	3200	3049	9.77
3	A'	2161	2059	383.97
4	A'	1430	1362	3.03
5	A'	1177	1121	29.08
6	A'	1053	1003	176.95
7	A'	712	679	93.13
8	A'	480	457	21.51
9	A"	3308	3152	1.84
10	A"	994	947	0.45
11	A"	904	862	51.38
12	A"	419	399	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	-1.254	0.000
C2	0.000	0.060	0.000
N3	-0.074	1.286	0.000
H4	-0.047	-1.798	0.944
H5	-0.047	-1.798	-0.944
H6	0.838	1.755	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3144	2.5401	1.0897	1.0897	3.1333
C2	1.3144		1.2282	2.0847	2.0847	1.8905
N3	2.5401	1.2282		3.2255	3.2255	1.0258
H4	1.0897	2.0847	3.2255		1.8881	3.7810
H5	1.0897	2.0847	3.2255	1.8881		3.7810
H6	3.1333	1.8905	1.0258	3.7810	3.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.903	C2	C1	H4	119.967
C2	C1	H5	119.967	C2	N3	H6	113.717
H4	C1	H5	120.063

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.126
2	C	0.015
3	N	-0.197
4	H	0.083
5	H	0.083
6	H	0.142

	x	y	z	Total
	1.474	-0.406	0.000	1.529
CHELPG
AIM
ESP

	x	y	z
x	2.237	0.343	0.000
y	0.343	7.200	0.000
z	0.000	0.000	2.641

<r²>	43.959
(<r²>)^1/2	6.630

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)