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	hartrees
Energy at 0K	-132.709245
Energy at 298.15K	-132.711740
HF Energy	-132.709245
Nuclear repulsion energy	59.185616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3324	4.79
2	A'	3084	3072	4.74
3	A'	2060	2052	303.51
4	A'	1394	1389	6.28
5	A'	1129	1125	20.60
6	A'	1016	1012	195.46
7	A'	665	662	93.12
8	A'	464	463	18.08
9	A"	3163	3151	0.03
10	A"	973	970	0.22
11	A"	879	876	51.66
12	A"	409	407	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.209	-1.241	0.000
C2	0.000	0.060	0.000
N3	-0.329	1.247	0.000
H4	0.305	-1.787	0.937
H5	0.305	-1.787	-0.937
H6	0.441	1.930	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3177	2.5461	1.0883	1.0883	3.1801
C2	1.3177		1.2323	2.0928	2.0928	1.9218
N3	2.5461	1.2323		3.2380	3.2380	1.0296
H4	1.0883	2.0928	3.2380		1.8738	3.8355
H5	1.0883	2.0928	3.2380	1.8738		3.8355
H6	3.1801	1.9218	1.0296	3.8355	3.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.623	C2	C1	H4	120.578
C2	C1	H5	120.578	C2	N3	H6	116.061
H4	C1	H5	118.836

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/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	-0.248
2	C	0.129
3	N	-0.350
4	H	0.133
5	H	0.133
6	H	0.204

	x	y	z	Total
	1.462	-0.046	0.000	1.463
CHELPG
AIM
ESP

	x	y	z
x	2.623	-0.642	0.000
y	-0.642	7.526	0.000
z	0.000	0.000	2.755

<r²>	44.458
(<r²>)^1/2	6.668

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)