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	hartrees
Energy at 0K	-22.902015
Energy at 298.15K	-22.904546
HF Energy	-22.902015
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3569	3569	17.41
2	A'	3219	3219	5.68
3	A'	2116	2116	387.30
4	A'	1459	1459	8.10
5	A'	1157	1157	12.75
6	A'	934	934	371.58
7	A'	794	794	178.63
8	A'	458	458	25.97
9	A"	3321	3321	1.48
10	A"	1020	1020	1.27
11	A"	908	908	87.07
12	A"	405	405	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.357	-1.240	0.000
C2	0.000	0.063	0.000
N3	-0.471	1.221	0.000
H4	0.503	-1.765	0.944
H5	0.503	-1.765	-0.944
H6	0.147	2.041	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3513	2.5964	1.0902	1.0902	3.2872
C2	1.3513		1.2497	2.1185	2.1185	1.9826
N3	2.5964	1.2497		3.2797	3.2797	1.0263
H4	1.0902	2.1185	3.2797		1.8885	3.9372
H5	1.0902	2.1185	3.2797	1.8885		3.9372
H6	3.2872	1.9826	1.0263	3.9372	3.9372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.194	C2	C1	H4	119.995
C2	C1	H5	119.995	C2	N3	H6	120.863
H4	C1	H5	120.010

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: wB97X-D/CEP-31G

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	-0.601
2	C	-0.192
3	N	0.066
4	H	0.212
5	H	0.212
6	H	0.303

	x	y	z	Total
	1.858	0.203	0.000	1.869
CHELPG
AIM
ESP

	x	y	z
x	2.538	-1.456	0.000
y	-1.456	7.479	0.000
z	0.000	0.000	2.313

<r²>	38.931
(<r²>)^1/2	6.239

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)