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	hartrees
Energy at 0K	-132.711782
Energy at 298.15K	-132.714360
HF Energy	-132.711782
Nuclear repulsion energy	59.762173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3517	3365	20.09
2	A'	3190	3052	9.29
3	A'	2160	2066	390.10
4	A'	1435	1373	5.27
5	A'	1177	1126	21.94
6	A'	1029	984	204.69
7	A'	715	684	104.51
8	A'	492	471	23.82
9	A"	3282	3140	1.19
10	A"	999	955	0.92
11	A"	908	869	57.88
12	A"	427	408	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	-1.247	0.000
C2	0.000	0.059	0.000
N3	-0.140	1.270	0.000
H4	0.047	-1.790	0.934
H5	0.047	-1.790	-0.934
H6	0.721	1.814	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3061	2.5226	1.0809	1.0809	3.1378
C2	1.3061		1.2193	2.0725	2.0725	1.8968
N3	2.5226	1.2193		3.2055	3.2055	1.0179
H4	1.0809	2.0725	3.2055		1.8681	3.7836
H5	1.0809	2.0725	3.2055	1.8681		3.7836
H6	3.1378	1.8968	1.0179	3.7836	3.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.620	C2	C1	H4	120.213
C2	C1	H5	120.213	C2	N3	H6	115.665
H4	C1	H5	119.569

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	-0.279
2	C	0.185
3	N	-0.441
4	H	0.159
5	H	0.159
6	H	0.217

	x	y	z	Total
	1.524	-0.345	0.000	1.562
CHELPG
AIM
ESP

	x	y	z
x	2.482	0.044	0.000
y	0.044	7.329	0.000
z	0.000	0.000	2.663

<r²>	43.662
(<r²>)^1/2	6.608

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)