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	hartrees
Energy at 0K	-132.703717
Energy at 298.15K	-132.706288
HF Energy	-132.703717
Nuclear repulsion energy	59.744755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3360	9.37
2	A'	3189	3044	5.86
3	A'	2160	2062	381.74
4	A'	1449	1382	5.04
5	A'	1180	1126	27.79
6	A'	1048	1000	216.67
7	A'	701	669	110.62
8	A'	490	467	24.15
9	A"	3278	3129	0.17
10	A"	1013	966	1.35
11	A"	918	876	63.42
12	A"	427	407	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.062	-1.246	0.000
C2	0.000	0.059	0.000
N3	-0.175	1.266	0.000
H4	0.094	-1.793	0.932
H5	0.094	-1.793	-0.932
H6	0.664	1.841	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3064	2.5227	1.0817	1.0817	3.1446
C2	1.3064		1.2192	2.0757	2.0757	1.9013
N3	2.5227	1.2192		3.2090	3.2090	1.0170
H4	1.0817	2.0757	3.2090		1.8650	3.7944
H5	1.0817	2.0757	3.2090	1.8650		3.7944
H6	3.1446	1.9013	1.0170	3.7944	3.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.472	C2	C1	H4	120.444
C2	C1	H5	120.444	C2	N3	H6	116.178
H4	C1	H5	119.107

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-311G*

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	-0.524
2	C	0.292
3	N	-0.600
4	H	0.254
5	H	0.254
6	H	0.323

	x	y	z	Total
	1.600	-0.305	0.000	1.629
CHELPG
AIM
ESP

	x	y	z
x	2.404	-0.096	0.000
y	-0.096	7.316	0.000
z	0.000	0.000	2.604

<r²>	43.729
(<r²>)^1/2	6.613

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)