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	hartrees
Energy at 0K	-132.769636
Energy at 298.15K	-132.772206
HF Energy	-132.769636
Nuclear repulsion energy	59.752847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3469	3353	16.52
2	A'	3162	3057	8.02
3	A'	2122	2051	390.93
4	A'	1439	1391	4.97
5	A'	1166	1128	19.16
6	A'	1032	998	213.99
7	A'	714	690	90.98
8	A'	487	471	20.53
9	A"	3247	3139	0.69
10	A"	1002	969	0.14
11	A"	901	871	52.62
12	A"	422	408	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.097	-1.244	0.000
C2	0.000	0.059	0.000
N3	-0.212	1.260	0.000
H4	0.146	-1.787	0.931
H5	0.146	-1.787	-0.931
H6	0.606	1.866	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3063	2.5225	1.0795	1.0795	3.1507
C2	1.3063		1.2193	2.0730	2.0730	1.9056
N3	2.5225	1.2193		3.2063	3.2063	1.0180
H4	1.0795	2.0730	3.2063		1.8628	3.7977
H5	1.0795	2.0730	3.2063	1.8628		3.7977
H6	3.1507	1.9056	1.0180	3.7977	3.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.267	C2	C1	H4	120.362
C2	C1	H5	120.362	C2	N3	H6	116.515
H4	C1	H5	119.268

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.438
2	C	0.161
3	N	-0.162
4	H	0.134
5	H	0.134
6	H	0.172

	x	y	z	Total
	1.429	-0.242	0.000	1.449
CHELPG
AIM
ESP

	x	y	z
x	2.979	-0.220	0.000
y	-0.220	7.646	0.000
z	0.000	0.000	3.111

<r²>	43.856
(<r²>)^1/2	6.622

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)