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	hartrees
Energy at 0K	-132.673354
Energy at 298.15K	-132.675942
HF Energy	-132.673354
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3548	22.46
2	A'	3206	3206	8.83
3	A'	2165	2165	369.38
4	A'	1452	1452	3.71
5	A'	1179	1179	18.75
6	A'	1036	1036	199.09
7	A'	727	727	86.69
8	A'	497	497	22.13
9	A"	3303	3303	0.87
10	A"	1008	1008	0.43
11	A"	917	917	53.64
12	A"	428	428	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.008	-1.248	0.000
C2	0.000	0.058	0.000
N3	-0.120	1.275	0.000
H4	0.019	-1.791	0.935
H5	0.019	-1.791	-0.935
H6	0.754	1.797	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3058	2.5257	1.0815	1.0815	3.1343
C2	1.3058		1.2226	2.0720	2.0720	1.8950
N3	2.5257	1.2226		3.2081	3.2081	1.0179
H4	1.0815	2.0720	3.2081		1.8704	3.7794
H5	1.0815	2.0720	3.2081	1.8704		3.7794
H6	3.1343	1.8950	1.0179	3.7794	3.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.716	C2	C1	H4	120.150
C2	C1	H5	120.150	C2	N3	H6	115.205
H4	C1	H5	119.694

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: wB97X-D/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	-0.530
2	C	0.420
3	N	-0.525
4	H	0.173
5	H	0.173
6	H	0.289

	x	y	z	Total
	1.462	-0.468	0.000	1.535
CHELPG
AIM
ESP

	x	y	z
x	2.394	0.149	0.000
y	0.149	7.127	0.000
z	0.000	0.000	2.790

<r²>	43.531
(<r²>)^1/2	6.598

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)