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	hartrees
Energy at 0K	-132.616971
Energy at 298.15K	-132.619523
HF Energy	-132.616971
Nuclear repulsion energy	59.189863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3352	8.61
2	A'	3209	3073	8.58
3	A'	2162	2070	312.84
4	A'	1471	1409	9.76
5	A'	1177	1127	9.88
6	A'	966	925	327.72
7	A'	788	755	136.73
8	A'	458	439	23.88
9	A"	3300	3160	0.00
10	A"	1037	993	1.74
11	A"	916	877	82.24
12	A"	411	393	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.219	-1.242	0.000
C2	0.000	0.056	0.000
N3	-0.329	1.244	0.000
H4	0.313	-1.790	0.930
H5	0.313	-1.790	-0.930
H6	0.361	1.996	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3163	2.5457	1.0833	1.0833	3.2419
C2	1.3163		1.2328	2.0904	2.0904	1.9743
N3	2.5457	1.2328		3.2376	3.2376	1.0213
H4	1.0833	2.0904	3.2376		1.8595	3.8997
H5	1.0833	2.0904	3.2376	1.8595		3.8997
H6	3.2419	1.9743	1.0213	3.8997	3.8997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.118	C2	C1	H4	120.880
C2	C1	H5	120.880	C2	N3	H6	122.011
H4	C1	H5	118.240

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	-0.443
2	C	0.286
3	N	-0.558
4	H	0.196
5	H	0.196
6	H	0.323

	x	y	z	Total
	1.785	0.025	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	1.862	-0.814	0.000
y	-0.814	7.239	0.000
z	0.000	0.000	2.268

<r²>	44.397
(<r²>)^1/2	6.663

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)