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	hartrees
Energy at 0K	-132.681365
Energy at 298.15K	-132.683929
HF Energy	-132.681365
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	3374	29.62
2	A'	3197	3061	9.55
3	A'	2139	2048	460.40
4	A'	1435	1374	3.94
5	A'	1172	1122	23.61
6	A'	1039	994	187.51
7	A'	727	696	91.88
8	A'	475	455	22.69
9	A"	3302	3161	0.82
10	A"	996	954	0.10
11	A"	897	859	52.86
12	A"	418	401	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-1.251	0.000
C2	0.000	0.060	0.000
N3	-0.217	1.268	0.000
H4	0.151	-1.791	0.942
H5	0.151	-1.791	-0.942
H6	0.618	1.855	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3142	2.5383	1.0872	1.0872	3.1489
C2	1.3142		1.2273	2.0820	2.0820	1.8990
N3	2.5383	1.2273		3.2214	3.2214	1.0211
H4	1.0872	2.0820	3.2214		1.8844	3.7948
H5	1.0872	2.0820	3.2214	1.8844		3.7948
H6	3.1489	1.8990	1.0211	3.7948	3.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.180	C2	C1	H4	119.927
C2	C1	H5	119.927	C2	N3	H6	114.947
H4	C1	H5	120.136

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: wB97X-D/aug-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	0.633
2	C	-0.026
3	N	-0.148
4	H	-0.269
5	H	-0.269
6	H	0.079

	x	y	z	Total
	1.464	-0.416	0.000	1.522
CHELPG
AIM
ESP

	x	y	z
x	3.924	-0.293	0.000
y	-0.293	8.149	0.000
z	0.000	0.000	3.694

<r²>	44.247
(<r²>)^1/2	6.652

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)