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	hartrees
Energy at 0K	-132.664347
Energy at 298.15K	-132.666889
HF Energy	-132.664347
Nuclear repulsion energy	59.457101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3502	3356	10.26
2	A'	3197	3064	8.54
3	A'	2158	2068	334.58
4	A'	1444	1384	3.73
5	A'	1178	1129	23.37
6	A'	1033	990	200.41
7	A'	705	676	101.68
8	A'	477	457	21.18
9	A"	3289	3152	0.62
10	A"	997	956	1.05
11	A"	906	868	58.23
12	A"	418	401	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.036	-1.253	0.000
C2	0.000	0.059	0.000
N3	-0.149	1.277	0.000
H4	0.058	-1.800	0.935
H5	0.058	-1.800	-0.935
H6	0.713	1.824	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3122	2.5370	1.0835	1.0835	3.1504
C2	1.3122		1.2277	2.0814	2.0814	1.9038
N3	2.5370	1.2277		3.2228	3.2228	1.0212
H4	1.0835	2.0814	3.2228		1.8702	3.7994
H5	1.0835	2.0814	3.2228	1.8702		3.7994
H6	3.1504	1.9038	1.0212	3.7994	3.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.589	C2	C1	H4	120.341
C2	C1	H5	120.341	C2	N3	H6	115.373
H4	C1	H5	119.314

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	-0.423
2	C	0.440
3	N	-0.632
4	H	0.166
5	H	0.166
6	H	0.285

	x	y	z	Total
	1.566	-0.411	0.000	1.619
CHELPG
AIM
ESP

	x	y	z
x	2.023	0.046	0.000
y	0.046	7.155	0.000
z	0.000	0.000	2.475

<r²>	43.836
(<r²>)^1/2	6.621

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)