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	hartrees
Energy at 0K	-132.711141
Energy at 298.15K	-132.713684
HF Energy	-132.711141
Nuclear repulsion energy	59.363118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3436	3299	4.34
2	A'	3190	3063	5.75
3	A'	2141	2056	315.65
4	A'	1463	1405	3.23
5	A'	1177	1131	28.91
6	A'	1059	1017	193.75
7	A'	708	680	95.92
8	A'	472	454	19.47
9	A"	3272	3142	0.03
10	A"	1014	974	0.77
11	A"	913	877	56.79
12	A"	419	403	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	-1.254	0.000
C2	0.000	0.059	0.000
N3	-0.151	1.280	0.000
H4	0.058	-1.806	0.933
H5	0.058	-1.806	-0.933
H6	0.715	1.827	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3133	2.5407	1.0844	1.0844	3.1552
C2	1.3133		1.2302	2.0857	2.0857	1.9078
N3	2.5407	1.2302		3.2300	3.2300	1.0242
H4	1.0844	2.0857	3.2300		1.8670	3.8080
H5	1.0844	2.0857	3.2300	1.8670		3.8080
H6	3.1552	1.9078	1.0242	3.8080	3.8080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.588	C2	C1	H4	120.588
C2	C1	H5	120.588	C2	N3	H6	115.309
H4	C1	H5	118.821

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/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	-0.486
2	C	0.445
3	N	-0.647
4	H	0.181
5	H	0.181
6	H	0.328

	x	y	z	Total
	1.568	-0.434	0.000	1.627
CHELPG
AIM
ESP

	x	y	z
x	1.987	0.063	0.000
y	0.063	7.152	0.000
z	0.000	0.000	2.438

<r²>	44.030
(<r²>)^1/2	6.635

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)