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	hartrees
Energy at 0K	-132.679418
Energy at 298.15K	-132.681977
HF Energy	-132.679418
Nuclear repulsion energy	59.556724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3360	13.10
2	A'	3215	3059	9.37
3	A'	2174	2069	348.71
4	A'	1454	1383	3.54
5	A'	1186	1129	23.69
6	A'	1037	987	202.42
7	A'	717	682	103.25
8	A'	481	458	21.95
9	A"	3309	3148	0.86
10	A"	1004	955	1.18
11	A"	913	869	59.21
12	A"	421	401	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-1.251	0.000
C2	0.000	0.059	0.000
N3	-0.105	1.280	0.000
H4	-0.002	-1.798	0.934
H5	-0.002	-1.798	-0.934
H6	0.775	1.794	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3101	2.5330	1.0820	1.0820	3.1440
C2	1.3101		1.2254	2.0780	2.0780	1.9005
N3	2.5330	1.2254		3.2174	3.2174	1.0191
H4	1.0820	2.0780	3.2174		1.8681	3.7915
H5	1.0820	2.0780	3.2174	1.8681		3.7915
H6	3.1440	1.9005	1.0191	3.7915	3.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.825	C2	C1	H4	120.309
C2	C1	H5	120.309	C2	N3	H6	115.402
H4	C1	H5	119.377

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-31G**

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	-0.428
2	C	0.440
3	N	-0.638
4	H	0.169
5	H	0.169
6	H	0.287

	x	y	z	Total
	1.561	-0.476	0.000	1.632
CHELPG
AIM
ESP

	x	y	z
x	2.020	0.211	0.000
y	0.211	7.106	0.000
z	0.000	0.000	2.460

<r²>	43.728
(<r²>)^1/2	6.613

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)