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	hartrees
Energy at 0K	-132.399947
Energy at 298.15K	-132.402590
HF Energy	-131.930521
Nuclear repulsion energy	60.003391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3633	3633	39.58
2	A'	3274	3274	10.80
3	A'	2183	2183	458.08
4	A'	1505	1505	2.52
5	A'	1201	1201	22.85
6	A'	1073	1073	210.65
7	A'	776	776	93.21
8	A'	504	504	24.28
9	A"	3372	3372	1.13
10	A"	1045	1045	0.00
11	A"	940	940	55.91
12	A"	437	437	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.065	-1.243	0.000
C2	0.000	0.060	0.000
N3	-0.042	1.274	0.000
H4	-0.085	-1.777	0.929
H5	-0.085	-1.777	-0.929
H6	0.857	1.732	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3037	2.5170	1.0723	1.0723	3.1140
C2	1.3037		1.2156	2.0601	2.0601	1.8790
N3	2.5170	1.2156		3.1901	3.1901	1.0085
H4	1.0723	2.0601	3.1901		1.8586	3.7501
H5	1.0723	2.0601	3.1901	1.8586		3.7501
H6	3.1140	1.8790	1.0085	3.7501	3.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.148	C2	C1	H4	119.922
C2	C1	H5	119.922	C2	N3	H6	114.997
H4	C1	H5	120.150

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: CISD/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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All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: CISD/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)