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	hartrees
Energy at 0K	-132.685373
Energy at 298.15K	-132.687923
HF Energy	-132.685373
Nuclear repulsion energy	59.403391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3486	3341	17.01
2	A'	3199	3066	10.82
3	A'	2167	2076	359.65
4	A'	1420	1361	3.20
5	A'	1177	1128	26.07
6	A'	1044	1000	179.90
7	A'	695	666	92.84
8	A'	481	461	20.73
9	A"	3304	3166	2.26
10	A"	984	943	0.42
11	A"	902	865	50.55
12	A"	418	401	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	-1.253	0.000
C2	0.000	0.060	0.000
N3	-0.166	1.276	0.000
H4	0.080	-1.798	0.942
H5	0.080	-1.798	-0.942
H6	0.703	1.821	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3139	2.5379	1.0889	1.0889	3.1417
C2	1.3139		1.2270	2.0849	2.0849	1.8954
N3	2.5379	1.2270		3.2244	3.2244	1.0254
H4	1.0889	2.0849	3.2244		1.8842	3.7908
H5	1.0889	2.0849	3.2244	1.8842		3.7908
H6	3.1417	1.8954	1.0254	3.7908	3.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.410	C2	C1	H4	120.093
C2	C1	H5	120.093	C2	N3	H6	114.297
H4	C1	H5	119.807

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.115
2	C	0.022
3	N	-0.210
4	H	0.083
5	H	0.083
6	H	0.136

	x	y	z	Total
	1.469	-0.266	0.000	1.493
CHELPG
AIM
ESP

	x	y	z
x	2.219	0.001	0.000
y	0.001	7.225	0.000
z	0.000	0.000	2.631

<r²>	43.918
(<r²>)^1/2	6.627

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)