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	hartrees
Energy at 0K	-22.899938
Energy at 298.15K	-22.902412
HF Energy	-22.899938
Nuclear repulsion energy	31.037117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3459	3350	5.24
2	A'	3177	3077	3.22
3	A'	2073	2007	326.13
4	A'	1434	1388	9.17
5	A'	1135	1099	11.97
6	A'	948	918	341.96
7	A'	755	731	176.82
8	A'	434	420	19.27
9	A"	3276	3172	2.54
10	A"	1002	970	0.36
11	A"	887	859	78.78
12	A"	393	380	2.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.473	-1.204	0.000
C2	0.000	0.066	0.000
N3	-0.590	1.173	0.000
H4	0.670	-1.717	0.944
H5	0.670	-1.717	-0.944
H6	-0.049	2.052	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3550	2.6046	1.0925	1.0925	3.2974
C2	1.3550		1.2553	2.1257	2.1257	1.9867
N3	2.6046	1.2553		3.2917	3.2917	1.0318
H4	1.0925	2.1257	3.2917		1.8886	3.9511
H5	1.0925	2.1257	3.2917	1.8886		3.9511
H6	3.2974	1.9867	1.0318	3.9511	3.9511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.398	C2	C1	H4	120.190
C2	C1	H5	120.190	C2	N3	H6	120.293
H4	C1	H5	119.617

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/CEP-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	-0.595
2	C	-0.197
3	N	0.084
4	H	0.211
5	H	0.211
6	H	0.286

	x	y	z	Total
	1.774	0.327	0.000	1.804
CHELPG
AIM
ESP

	x	y	z
x	2.871	-1.880	0.000
y	-1.880	7.298	0.000
z	0.000	0.000	2.335

<r²>	39.166
(<r²>)^1/2	6.258

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)