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	hartrees
Energy at 0K	-132.556292
Energy at 298.15K	-132.558778
HF Energy	-132.556292
Nuclear repulsion energy	59.186552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3351	7.16
2	A'	3116	3084	8.69
3	A'	2098	2076	274.46
4	A'	1383	1369	5.37
5	A'	1139	1127	14.46
6	A'	1003	993	182.96
7	A'	649	643	81.13
8	A'	475	470	17.69
9	A"	3203	3170	1.10
10	A"	956	947	0.07
11	A"	883	873	46.92
12	A"	409	405	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.224	-1.237	0.000
C2	0.000	0.059	0.000
N3	-0.346	1.243	0.000
H4	0.327	-1.782	0.939
H5	0.327	-1.782	-0.939
H6	0.420	1.930	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3158	2.5456	1.0901	1.0901	3.1737
C2	1.3158		1.2338	2.0920	2.0920	1.9177
N3	2.5456	1.2338		3.2381	3.2381	1.0287
H4	1.0901	2.0920	3.2381		1.8779	3.8299
H5	1.0901	2.0920	3.2381	1.8779		3.8299
H6	3.1737	1.9177	1.0287	3.8299	3.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.546	C2	C1	H4	120.526
C2	C1	H5	120.526	C2	N3	H6	115.605
H4	C1	H5	118.940

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	-0.493
2	C	0.422
3	N	-0.504
4	H	0.156
5	H	0.156
6	H	0.263

	x	y	z	Total
	1.400	-0.125	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	2.540	-0.651	0.000
y	-0.651	7.244	0.000
z	0.000	0.000	2.843

<r²>	44.125
(<r²>)^1/2	6.643

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)