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	hartrees
Energy at 0K	-132.657257
Energy at 298.15K	-132.659798
HF Energy	-132.657257
Nuclear repulsion energy	59.417345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3322	7.59
2	A'	3201	3062	7.14
3	A'	2157	2064	327.74
4	A'	1456	1393	3.82
5	A'	1182	1130	26.39
6	A'	1048	1002	203.06
7	A'	705	675	105.92
8	A'	476	455	20.94
9	A"	3288	3146	0.30
10	A"	1008	965	1.24
11	A"	912	873	59.82
12	A"	419	401	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.056	-1.253	0.000
C2	0.000	0.059	0.000
N3	-0.170	1.275	0.000
H4	0.086	-1.802	0.935
H5	0.086	-1.802	-0.935
H6	0.683	1.839	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3126	2.5381	1.0845	1.0845	3.1550
C2	1.3126		1.2284	2.0839	2.0839	1.9071
N3	2.5381	1.2284		3.2261	3.2261	1.0224
H4	1.0845	2.0839	3.2261		1.8694	3.8064
H5	1.0845	2.0839	3.2261	1.8694		3.8064
H6	3.1550	1.9071	1.0224	3.8064	3.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.489	C2	C1	H4	120.467
C2	C1	H5	120.467	C2	N3	H6	115.529
H4	C1	H5	119.061

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3PW91/6-31G*

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	-0.537
2	C	0.456
3	N	-0.676
4	H	0.206
5	H	0.206
6	H	0.345

	x	y	z	Total
	1.600	-0.400	0.000	1.649
CHELPG
AIM
ESP

	x	y	z
x	1.986	-0.039	0.000
y	-0.039	7.134	0.000
z	0.000	0.000	2.440

<r²>	43.900
(<r²>)^1/2	6.626

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)