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	hartrees
Energy at 0K	-132.655695
Energy at 298.15K	-132.658252
HF Energy	-132.485404
Nuclear repulsion energy	59.650124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3504	3504	25.29
2	A'	3192	3192	9.69
3	A'	2107	2107	376.93
4	A'	1447	1447	4.92
5	A'	1158	1158	17.08
6	A'	1027	1027	221.84
7	A'	708	708	93.49
8	A'	484	484	22.43
9	A"	3285	3285	1.40
10	A"	1006	1006	0.01
11	A"	903	903	53.67
12	A"	420	420	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.126	-1.245	0.000
C2	0.000	0.059	0.000
N3	-0.242	1.258	0.000
H4	0.187	-1.783	0.932
H5	0.187	-1.783	-0.932
H6	0.563	1.879	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3097	2.5294	1.0779	1.0779	3.1541
C2	1.3097		1.2230	2.0723	2.0723	1.9051
N3	2.5294	1.2230		3.2087	3.2087	1.0164
H4	1.0779	2.0723	3.2087		1.8643	3.7969
H5	1.0779	2.0723	3.2087	1.8643		3.7969
H6	3.1541	1.9051	1.0164	3.7969	3.7969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.120	C2	C1	H4	120.133
C2	C1	H5	120.133	C2	N3	H6	116.273
H4	C1	H5	119.724

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP/Def2TZVPP

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	-0.236
2	C	0.068
3	N	-0.242
4	H	0.110
5	H	0.110
6	H	0.190

	x	y	z	Total
	1.443	-0.199	0.000	1.457
CHELPG
AIM
ESP

	x	y	z
x	3.318	-0.370	0.000
y	-0.370	7.865	0.000
z	0.000	0.000	3.176

<r²>	44.076
(<r²>)^1/2	6.639

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)