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	hartrees
Energy at 0K	-22.268182
Energy at 298.15K	-22.270863
HF Energy	-22.268182
Nuclear repulsion energy	31.489300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3764	3393	44.97
2	A'	3366	3034	2.27
3	A'	2204	1987	547.61
4	A'	1573	1418	4.90
5	A'	1221	1100	19.99
6	A'	1026	925	448.66
7	A'	905	816	176.16
8	A'	491	442	28.00
9	A"	3472	3130	3.82
10	A"	1118	1008	0.51
11	A"	983	886	102.67
12	A"	441	397	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-1.275	0.000
C2	0.000	0.062	0.000
N3	-0.196	1.281	0.000
H4	0.127	-1.813	0.933
H5	0.127	-1.813	-0.933
H6	0.573	1.936	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3395	2.5720	1.0776	1.0776	3.2465
C2	1.3395		1.2352	2.0974	2.0974	1.9597
N3	2.5720	1.2352		3.2475	3.2475	1.0095
H4	1.0776	2.0974	3.2475		1.8662	3.8882
H5	1.0776	2.0974	3.2475	1.8662		3.8882
H6	3.2465	1.9597	1.0095	3.8882	3.8882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.755	C2	C1	H4	120.011
C2	C1	H5	120.011	C2	N3	H6	121.289
H4	C1	H5	119.978

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/CEP-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	-0.561
2	C	-0.135
3	N	-0.021
4	H	0.197
5	H	0.197
6	H	0.324

	x	y	z	Total
	2.015	-0.428	0.000	2.060
CHELPG
AIM
ESP

	x	y	z
x	2.065	-0.264	0.000
y	-0.264	7.905	0.000
z	0.000	0.000	2.270

<r²>	38.734
(<r²>)^1/2	6.224

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)