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	hartrees
Energy at 0K	-130.943425
Energy at 298.15K	-130.945723
HF Energy	-130.943425
Nuclear repulsion energy	57.599156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3039	41.78
2	A'	3257	3013	11.00
3	A'	2100	1943	55.38
4	A'	1517	1403	2.71
5	A'	1146	1061	79.09
6	A'	1122	1038	57.16
7	A'	750	694	50.90
8	A'	412	381	10.25
9	A"	3421	3165	4.68
10	A"	1043	965	0.00
11	A"	941	871	27.44
12	A"	371	343	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.902	-0.912	0.000
C2	0.000	0.071	0.000
N3	-1.040	0.829	0.000
H4	1.304	-1.317	0.944
H5	1.304	-1.317	-0.944
H6	-0.738	1.876	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3340	2.6087	1.1036	1.1036	3.2342
C2	1.3340		1.2876	2.1258	2.1258	1.9498
N3	2.6087	1.2876		3.3161	3.3161	1.0892
H4	1.1036	2.1258	3.3161		1.8890	3.9057
H5	1.1036	2.1258	3.3161	1.8890		3.9057
H6	3.2342	1.9498	1.0892	3.9057	3.9057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	168.645	C2	C1	H4	121.119
C2	C1	H5	121.119	C2	N3	H6	109.961
H4	C1	H5	117.708

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/STO-3G

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	-0.206
2	C	0.096
3	N	-0.260
4	H	0.093
5	H	0.093
6	H	0.183

	x	y	z	Total
	1.250	0.735	0.000	1.450
CHELPG
AIM
ESP

	x	y	z
x	2.632	-2.136	0.000
y	-2.136	3.385	0.000
z	0.000	0.000	1.240

<r²>	45.150
(<r²>)^1/2	6.719

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)