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	hartrees
Energy at 0K	-132.630963
Energy at 298.15K	-132.633530
HF Energy	-132.630963
Nuclear repulsion energy	59.291372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3532	3343	11.99
2	A'	3228	3056	9.46
3	A'	2178	2061	325.31
4	A'	1481	1402	9.58
5	A'	1185	1122	10.46
6	A'	969	918	333.58
7	A'	801	758	138.80
8	A'	462	438	24.84
9	A"	3321	3144	0.01
10	A"	1044	988	1.92
11	A"	924	874	83.94
12	A"	414	392	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.192	-1.245	0.000
C2	0.000	0.055	0.000
N3	-0.301	1.249	0.000
H4	0.274	-1.793	0.929
H5	0.274	-1.793	-0.929
H6	0.404	1.985	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3142	2.5416	1.0815	1.0815	3.2366
C2	1.3142		1.2306	2.0868	2.0868	1.9714
N3	2.5416	1.2306		3.2320	3.2320	1.0189
H4	1.0815	2.0868	3.2320		1.8571	3.8928
H5	1.0815	2.0868	3.2320	1.8571		3.8928
H6	3.2366	1.9714	1.0189	3.8928	3.8928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.270	C2	C1	H4	120.848
C2	C1	H5	120.848	C2	N3	H6	122.129
H4	C1	H5	118.304

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-31G

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	-0.447
2	C	0.289
3	N	-0.569
4	H	0.200
5	H	0.200
6	H	0.327

	x	y	z	Total
	1.800	-0.025	0.000	1.800
CHELPG
AIM
ESP

	x	y	z
x	1.818	-0.700	0.000
y	-0.700	7.231	0.000
z	0.000	0.000	2.252

<r²>	44.293
(<r²>)^1/2	6.655

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)