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	hartrees
Energy at 0K	-132.709952
Energy at 298.15K	-132.712525
HF Energy	-132.709952
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3375	28.01
2	A'	3196	3052	11.06
3	A'	2152	2056	465.96
4	A'	1452	1386	5.30
5	A'	1182	1128	18.66
6	A'	996	951	218.86
7	A'	746	712	110.99
8	A'	477	456	27.13
9	A"	3291	3143	1.63
10	A"	1013	968	0.85
11	A"	911	870	64.77
12	A"	421	402	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	-1.245	0.000
C2	0.000	0.059	0.000
N3	-0.162	1.266	0.000
H4	0.077	-1.786	0.934
H5	0.077	-1.786	-0.934
H6	0.684	1.829	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3043	2.5190	1.0805	1.0805	3.1387
C2	1.3043		1.2175	2.0698	2.0698	1.8979
N3	2.5190	1.2175		3.2007	3.2007	1.0162
H4	1.0805	2.0698	3.2007		1.8689	3.7835
H5	1.0805	2.0698	3.2007	1.8689		3.7835
H6	3.1387	1.8979	1.0162	3.7835	3.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.528	C2	C1	H4	120.136
C2	C1	H5	120.136	C2	N3	H6	116.056
H4	C1	H5	119.723

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: wB97X-D/TZVP

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	-0.487
2	C	0.195
3	N	-0.276
4	H	0.169
5	H	0.169
6	H	0.231

	x	y	z	Total
	1.614	-0.372	0.000	1.657
CHELPG
AIM
ESP

	x	y	z
x	2.918	-0.121	0.000
y	-0.121	7.801	0.000
z	0.000	0.000	2.821

<r²>	43.749
(<r²>)^1/2	6.614

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)