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	hartrees
Energy at 0K	-131.900610
Energy at 298.15K	-131.903351
HF Energy	-131.900610
Nuclear repulsion energy	60.259017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3386	27.94
2	A'	3325	3008	4.18
3	A'	2251	2036	569.58
4	A'	1574	1424	1.27
5	A'	1248	1128	51.07
6	A'	1142	1033	207.96
7	A'	839	759	113.88
8	A'	531	480	27.85
9	A"	3418	3091	0.25
10	A"	1111	1005	1.09
11	A"	987	893	74.44
12	A"	468	423	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.248	-1.213	0.000
C2	0.000	0.062	0.000
N3	0.154	1.260	0.000
H4	-0.350	-1.742	0.927
H5	-0.350	-1.742	-0.927
H6	1.109	1.568	0.000

	C1	C2	N3	H4	H5	H6
C1		1.2993	2.5055	1.0727	1.0727	3.0941
C2	1.2993		1.2074	2.0591	2.0591	1.8696
N3	2.5055	1.2074		3.1825	3.1825	1.0027
H4	1.0727	2.0591	3.1825		1.8548	3.7344
H5	1.0727	2.0591	3.1825	1.8548		3.7344
H6	3.0941	1.8696	1.0027	3.7344	3.7344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.338	C2	C1	H4	120.169
C2	C1	H5	120.169	C2	N3	H6	115.226
H4	C1	H5	119.662

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/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	-0.508
2	C	0.334
3	N	-0.683
4	H	0.260
5	H	0.260
6	H	0.338

	x	y	z	Total
	1.535	-0.935	0.000	1.798
CHELPG
AIM
ESP

	x	y	z
x	2.584	1.095	0.000
y	1.095	6.882	0.000
z	0.000	0.000	2.528

<r²>	43.406
(<r²>)^1/2	6.588

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)