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	hartrees
Energy at 0K	-132.748240
Energy at 298.15K	-132.750785
HF Energy	-132.748240
Nuclear repulsion energy	59.496030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3443	3316	3.50
2	A'	3162	3045	2.99
3	A'	2118	2040	333.87
4	A'	1450	1396	5.01
5	A'	1162	1120	28.72
6	A'	1057	1018	206.74
7	A'	687	662	106.07
8	A'	477	460	20.60
9	A"	3247	3128	0.04
10	A"	1012	975	0.26
11	A"	917	884	59.45
12	A"	418	402	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.184	-1.239	0.000
C2	0.000	0.060	0.000
N3	-0.303	1.248	0.000
H4	0.269	-1.782	0.933
H5	0.269	-1.782	-0.933
H6	0.478	1.907	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3115	2.5336	1.0830	1.0830	3.1596
C2	1.3115		1.2259	2.0821	2.0821	1.9081
N3	2.5336	1.2259		3.2213	3.2213	1.0218
H4	1.0830	2.0821	3.2213		1.8661	3.8109
H5	1.0830	2.0821	3.2213	1.8661		3.8109
H6	3.1596	1.9081	1.0218	3.8109	3.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.759	C2	C1	H4	120.509
C2	C1	H5	120.509	C2	N3	H6	115.895
H4	C1	H5	118.975

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/6-311G*

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	-0.496
2	C	0.293
3	N	-0.588
4	H	0.240
5	H	0.240
6	H	0.311

	x	y	z	Total
	1.586	-0.147	0.000	1.593
CHELPG
AIM
ESP

	x	y	z
x	2.499	-0.563	0.000
y	-0.563	7.360	0.000
z	0.000	0.000	2.630

<r²>	44.010
(<r²>)^1/2	6.634

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)