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	hartrees
Energy at 0K	-132.686203
Energy at 298.15K	-132.688775
HF Energy	-132.686203
Nuclear repulsion energy	59.821507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3374	20.08
2	A'	3193	3065	9.34
3	A'	2162	2076	386.75
4	A'	1433	1376	4.66
5	A'	1177	1130	21.81
6	A'	1026	985	201.85
7	A'	712	684	101.64
8	A'	491	472	23.92
9	A"	3286	3155	0.84
10	A"	996	956	0.88
11	A"	907	871	57.08
12	A"	425	408	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.016	-1.246	0.000
C2	0.000	0.059	0.000
N3	-0.128	1.271	0.000
H4	0.030	-1.788	0.933
H5	0.030	-1.788	-0.933
H6	0.739	1.803	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3048	2.5203	1.0794	1.0794	3.1338
C2	1.3048		1.2182	2.0698	2.0698	1.8945
N3	2.5203	1.2182		3.2019	3.2019	1.0173
H4	1.0794	2.0698	3.2019		1.8658	3.7782
H5	1.0794	2.0698	3.2019	1.8658		3.7782
H6	3.1338	1.8945	1.0173	3.7782	3.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.680	C2	C1	H4	120.194
C2	C1	H5	120.194	C2	N3	H6	115.581
H4	C1	H5	119.606

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B1B95/6-311G**

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	-0.284
2	C	0.177
3	N	-0.424
4	H	0.157
5	H	0.157
6	H	0.218

	x	y	z	Total
	1.513	-0.345	0.000	1.552
CHELPG
AIM
ESP

	x	y	z
x	2.470	0.096	0.000
y	0.096	7.295	0.000
z	0.000	0.000	2.665

<r²>	43.587
(<r²>)^1/2	6.602

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)