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	hartrees
Energy at 0K	-132.646936
Energy at 298.15K	-132.649487
HF Energy	-132.646936
Nuclear repulsion energy	59.570165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3499	3322	9.62
2	A'	3222	3059	8.16
3	A'	2177	2066	338.59
4	A'	1461	1387	3.06
5	A'	1190	1130	26.30
6	A'	1048	994	201.02
7	A'	714	678	102.76
8	A'	480	455	21.85
9	A"	3311	3143	0.35
10	A"	1009	958	1.28
11	A"	917	871	59.57
12	A"	420	398	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	-1.251	0.000
C2	0.000	0.059	0.000
N3	-0.116	1.278	0.000
H4	0.012	-1.799	0.933
H5	0.012	-1.799	-0.933
H6	0.760	1.801	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3093	2.5319	1.0818	1.0818	3.1436
C2	1.3093		1.2253	2.0785	2.0785	1.9007
N3	2.5319	1.2253		3.2181	3.2181	1.0199
H4	1.0818	2.0785	3.2181		1.8652	3.7930
H5	1.0818	2.0785	3.2181	1.8652		3.7930
H6	3.1436	1.9007	1.0199	3.7930	3.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.770	C2	C1	H4	120.452
C2	C1	H5	120.452	C2	N3	H6	115.384
H4	C1	H5	119.092

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B1B95/6-31G*

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	-0.519
2	C	0.433
3	N	-0.655
4	H	0.200
5	H	0.200
6	H	0.342

	x	y	z	Total
	1.580	-0.463	0.000	1.647
CHELPG
AIM
ESP

	x	y	z
x	1.979	0.175	0.000
y	0.175	7.063	0.000
z	0.000	0.000	2.430

<r²>	43.727
(<r²>)^1/2	6.613

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)