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	hartrees
Energy at 0K	-132.025751
Energy at 298.15K	-132.028236
HF Energy	-132.025751
Nuclear repulsion energy	59.729918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3423	3423	30.96
2	A'	3106	3106	20.63
3	A'	2138	2138	391.44
4	A'	1368	1368	7.80
5	A'	1152	1152	18.52
6	A'	955	955	218.36
7	A'	658	658	98.60
8	A'	485	485	26.23
9	A"	3195	3195	7.16
10	A"	942	942	1.14
11	A"	860	860	54.96
12	A"	412	412	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.131	-1.239	0.000
C2	0.000	0.058	0.000
N3	-0.245	1.250	0.000
H4	0.194	-1.786	0.939
H5	0.194	-1.786	-0.939
H6	0.543	1.906	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3036	2.5168	1.0892	1.0892	3.1713
C2	1.3036		1.2165	2.0790	2.0790	1.9256
N3	2.5168	1.2165		3.2082	3.2082	1.0254
H4	1.0892	2.0790	3.2082		1.8788	3.8256
H5	1.0892	2.0790	3.2082	1.8788		3.8256
H6	3.1713	1.9256	1.0254	3.8256	3.8256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.137	C2	C1	H4	120.397
C2	C1	H5	120.397	C2	N3	H6	118.138
H4	C1	H5	119.200

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: LSDA/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	-0.390
2	C	0.017
3	N	-0.130
4	H	0.156
5	H	0.156
6	H	0.192

	x	y	z	Total
	1.418	-0.124	0.000	1.423
CHELPG
AIM
ESP

	x	y	z
x	3.385	-0.394	0.000
y	-0.394	7.995	0.000
z	0.000	0.000	3.265

<r²>	43.881
(<r²>)^1/2	6.624

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: LSDA/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)