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	hartrees
Energy at 0K	-131.980437
Energy at 298.15K	-131.983104
HF Energy	-131.980437
Nuclear repulsion energy	59.422989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3238	4.77
2	A'	3183	3071	7.46
3	A'	2173	2097	262.87
4	A'	1490	1438	10.86
5	A'	1183	1142	5.58
6	A'	997	962	332.67
7	A'	774	747	132.48
8	A'	529	510	31.31
9	A"	3261	3146	0.01
10	A"	1056	1019	2.24
11	A"	924	891	65.66
12	A"	465	449	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.107	-1.250	0.000
C2	0.000	0.056	0.000
N3	0.008	1.280	0.000
H4	-0.154	-1.804	0.929
H5	-0.154	-1.804	-0.929
H6	0.894	1.808	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3110	2.5331	1.0831	1.0831	3.2177
C2	1.3110		1.2239	2.0855	2.0855	1.9663
N3	2.5331	1.2239		3.2255	3.2255	1.0309
H4	1.0831	2.0855	3.2255		1.8590	3.8742
H5	1.0831	2.0855	3.2255	1.8590		3.8742
H6	3.2177	1.9663	1.0309	3.8742	3.8742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.699	C2	C1	H4	120.887
C2	C1	H5	120.887	C2	N3	H6	121.168
H4	C1	H5	118.226

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/3-21G

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	-0.401
2	C	0.393
3	N	-0.729
4	H	0.222
5	H	0.222
6	H	0.293

	x	y	z	Total
	1.643	-0.219	0.000	1.658
CHELPG
AIM
ESP

	x	y	z
x	1.548	0.703	0.000
y	0.703	6.799	0.000
z	0.000	0.000	2.115

<r²>	44.075
(<r²>)^1/2	6.639

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)