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	hartrees
Energy at 0K	-132.601254
Energy at 298.15K	-132.603808
HF Energy	-132.456501
Nuclear repulsion energy	59.508024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3503	3503	8.79
2	A'	3189	3189	5.45
3	A'	2119	2119	324.89
4	A'	1457	1457	5.38
5	A'	1159	1159	28.47
6	A'	1051	1051	225.66
7	A'	693	693	106.99
8	A'	478	478	22.96
9	A"	3279	3279	0.03
10	A"	1022	1022	0.58
11	A"	918	918	62.07
12	A"	422	422	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.138	-1.246	0.000
C2	0.000	0.059	0.000
N3	-0.254	1.259	0.000
H4	0.203	-1.790	0.932
H5	0.203	-1.790	-0.932
H6	0.547	1.887	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3123	2.5349	1.0811	1.0811	3.1595
C2	1.3123		1.2261	2.0804	2.0804	1.9079
N3	2.5349	1.2261		3.2202	3.2202	1.0181
H4	1.0811	2.0804	3.2202		1.8642	3.8086
H5	1.0811	2.0804	3.2202	1.8642		3.8086
H6	3.1595	1.9079	1.0181	3.8086	3.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.060	C2	C1	H4	120.435
C2	C1	H5	120.435	C2	N3	H6	116.149
H4	C1	H5	119.124

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP/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	-0.511
2	C	0.259
3	N	-0.557
4	H	0.244
5	H	0.244
6	H	0.320

	x	y	z	Total
	1.599	-0.133	0.000	1.605
CHELPG
AIM
ESP

	x	y	z
x	2.425	-0.399	0.000
y	-0.399	7.358	0.000
z	0.000	0.000	2.613

<r²>	44.123
(<r²>)^1/2	6.642

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)