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	hartrees
Energy at 0K	-131.968728
Energy at 298.15K	-131.971183
HF Energy	-131.968728
Nuclear repulsion energy	59.202907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3379	3352	17.79
2	A'	3110	3085	19.24
3	A'	2151	2134	312.72
4	A'	1350	1339	5.07
5	A'	1144	1135	24.91
6	A'	977	969	186.20
7	A'	634	629	96.09
8	A'	471	468	22.38
9	A"	3212	3186	6.75
10	A"	923	915	1.19
11	A"	862	855	49.93
12	A"	402	399	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.128	-1.249	0.000
C2	0.000	0.060	0.000
N3	-0.247	1.264	0.000
H4	0.190	-1.799	0.950
H5	0.190	-1.799	-0.950
H6	0.578	1.889	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3153	2.5406	1.0992	1.0992	3.1708
C2	1.3153		1.2288	2.0962	2.0962	1.9188
N3	2.5406	1.2288		3.2362	3.2362	1.0354
H4	1.0992	2.0962	3.2362		1.8995	3.8286
H5	1.0992	2.0962	3.2362	1.8995		3.8286
H6	3.1708	1.9188	1.0354	3.8286	3.8286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.008	C2	C1	H4	120.224
C2	C1	H5	120.224	C2	N3	H6	115.610
H4	C1	H5	119.545

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: SVWN/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	-0.178
2	C	-0.021
3	N	-0.155
4	H	0.100
5	H	0.100
6	H	0.154

	x	y	z	Total
	1.444	-0.031	0.000	1.444
CHELPG
AIM
ESP

	x	y	z
x	2.262	-0.308	0.000
y	-0.308	7.361	0.000
z	0.000	0.000	2.710

<r²>	44.123
(<r²>)^1/2	6.642

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: SVWN/cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)