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	hartrees
Energy at 0K	-132.667648
Energy at 298.15K	-132.670144
HF Energy	-132.667648
Nuclear repulsion energy	59.349903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3340	6.22
2	A'	3112	3068	4.39
3	A'	2086	2056	316.34
4	A'	1399	1379	5.89
5	A'	1138	1122	20.31
6	A'	1023	1008	191.45
7	A'	659	650	96.77
8	A'	466	459	18.46
9	A"	3197	3151	0.02
10	A"	974	960	0.25
11	A"	883	870	52.63
12	A"	408	402	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.190	-1.241	0.000
C2	0.000	0.060	0.000
N3	-0.310	1.249	0.000
H4	0.278	-1.784	0.936
H5	0.278	-1.784	-0.936
H6	0.473	1.910	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3150	2.5402	1.0858	1.0858	3.1637
C2	1.3150		1.2290	2.0865	2.0865	1.9093
N3	2.5402	1.2290		3.2283	3.2283	1.0241
H4	1.0858	2.0865	3.2283		1.8728	3.8153
H5	1.0858	2.0865	3.2283	1.8728		3.8153
H6	3.1637	1.9093	1.0241	3.8153	3.8153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.704	C2	C1	H4	120.405
C2	C1	H5	120.405	C2	N3	H6	115.553
H4	C1	H5	119.181

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B97D3/6-311G**

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	-0.265
2	C	0.165
3	N	-0.397
4	H	0.144
5	H	0.144
6	H	0.209

	x	y	z	Total
	1.477	-0.102	0.000	1.481
CHELPG
AIM
ESP

	x	y	z
x	2.609	-0.584	0.000
y	-0.584	7.470	0.000
z	0.000	0.000	2.733

<r²>	44.138
(<r²>)^1/2	6.644

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)