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	hartrees
Energy at 0K	-132.561991
Energy at 298.15K	-132.564528
HF Energy	-132.424175
Nuclear repulsion energy	59.298371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3477	3301	7.50
2	A'	3223	3059	6.79
3	A'	2134	2025	286.08
4	A'	1475	1400	3.43
5	A'	1172	1112	26.87
6	A'	1058	1004	209.49
7	A'	710	674	99.01
8	A'	465	442	20.35
9	A"	3311	3143	0.12
10	A"	1025	973	0.52
11	A"	921	874	58.61
12	A"	416	395	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.122	-1.251	0.000
C2	0.000	0.058	0.000
N3	-0.239	1.268	0.000
H4	0.180	-1.797	0.933
H5	0.180	-1.797	-0.933
H6	0.582	1.877	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3152	2.5451	1.0821	1.0821	3.1621
C2	1.3152		1.2333	2.0842	2.0842	1.9098
N3	2.5451	1.2333		3.2311	3.2311	1.0223
H4	1.0821	2.0842	3.2311		1.8653	3.8119
H5	1.0821	2.0842	3.2311	1.8653		3.8119
H6	3.1621	1.9098	1.0223	3.8119	3.8119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.140	C2	C1	H4	120.469
C2	C1	H5	120.469	C2	N3	H6	115.395
H4	C1	H5	119.056

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP/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	-0.504
2	C	0.416
3	N	-0.632
4	H	0.190
5	H	0.190
6	H	0.340

	x	y	z	Total
	1.614	-0.281	0.000	1.638
CHELPG
AIM
ESP

	x	y	z
x	1.988	-0.312	0.000
y	-0.312	7.136	0.000
z	0.000	0.000	2.423

<r²>	44.158
(<r²>)^1/2	6.645

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)