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	hartrees
Energy at 0K	-22.278814
Energy at 298.15K	-22.281541
HF Energy	-22.278814
Nuclear repulsion energy	31.751104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3706	3382	41.99
2	A'	3309	3019	6.90
3	A'	2187	1996	557.69
4	A'	1562	1425	6.47
5	A'	1203	1098	15.45
6	A'	1023	934	428.53
7	A'	922	841	152.98
8	A'	505	461	37.75
9	A"	3421	3121	1.29
10	A"	1128	1029	0.63
11	A"	988	902	103.49
12	A"	453	413	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.056	-1.260	0.000
C2	0.000	0.056	0.000
N3	-0.160	1.275	0.000
H4	0.079	-1.802	0.926
H5	0.079	-1.802	-0.926
H6	0.626	1.905	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3175	2.5443	1.0731	1.0731	3.2160
C2	1.3175		1.2292	2.0773	2.0773	1.9518
N3	2.5443	1.2292		3.2217	3.2217	1.0070
H4	1.0731	2.0773	3.2217		1.8527	3.8594
H5	1.0731	2.0773	3.2217	1.8527		3.8594
H6	3.2160	1.9518	1.0070	3.8594	3.8594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.962	C2	C1	H4	120.322
C2	C1	H5	120.322	C2	N3	H6	121.255
H4	C1	H5	119.356

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/CEP-121G

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	-0.623
2	C	0.038
3	N	-0.119
4	H	0.194
5	H	0.194
6	H	0.317

	x	y	z	Total
	1.971	-0.483	0.000	2.029
CHELPG
AIM
ESP

	x	y	z
x	2.308	-0.106	0.000
y	-0.106	7.913	0.000
z	0.000	0.000	2.474

<r²>	38.226
(<r²>)^1/2	6.183

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)