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	hartrees
Energy at 0K	-132.606113
Energy at 298.15K	-132.608676
HF Energy	-132.606113
Nuclear repulsion energy	59.349017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3367	12.96
2	A'	3229	3079	9.80
3	A'	2181	2080	326.68
4	A'	1479	1410	9.01
5	A'	1186	1131	10.58
6	A'	959	914	334.35
7	A'	800	763	134.42
8	A'	462	441	25.53
9	A"	3321	3168	0.00
10	A"	1040	992	1.96
11	A"	925	882	83.22
12	A"	412	393	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.172	-1.247	0.000
C2	0.000	0.055	0.000
N3	-0.279	1.252	0.000
H4	0.245	-1.796	0.928
H5	0.245	-1.796	-0.928
H6	0.434	1.978	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3130	2.5390	1.0806	1.0806	3.2355
C2	1.3130		1.2290	2.0851	2.0851	1.9715
N3	2.5390	1.2290		3.2290	3.2290	1.0182
H4	1.0806	2.0851	3.2290		1.8552	3.8913
H5	1.0806	2.0851	3.2290	1.8552		3.8913
H6	3.2355	1.9715	1.0182	3.8913	3.8913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.387	C2	C1	H4	120.862
C2	C1	H5	120.862	C2	N3	H6	122.359
H4	C1	H5	118.276

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	-0.426
2	C	0.267
3	N	-0.544
4	H	0.191
5	H	0.191
6	H	0.322

	x	y	z	Total
	1.788	-0.025	0.000	1.789
CHELPG
AIM
ESP

	x	y	z
x	1.785	-0.605	0.000
y	-0.605	7.238	0.000
z	0.000	0.000	2.254

<r²>	44.230
(<r²>)^1/2	6.651

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)