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	hartrees
Energy at 0K	-132.460899
Energy at 298.15K	-132.463469
HF Energy	-131.929432
Nuclear repulsion energy	59.557717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3531	22.87
2	A'	3203	3203	7.79
3	A'	2115	2115	358.31
4	A'	1467	1467	2.80
5	A'	1158	1158	23.58
6	A'	1063	1063	200.25
7	A'	733	733	87.04
8	A'	476	476	20.70
9	A"	3299	3299	0.63
10	A"	1017	1017	0.13
11	A"	919	919	50.82
12	A"	416	416	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	-1.253	0.000
C2	0.000	0.059	0.000
N3	-0.155	1.276	0.000
H4	0.065	-1.791	0.934
H5	0.065	-1.791	-0.934
H6	0.710	1.809	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3125	2.5365	1.0779	1.0779	3.1343
C2	1.3125		1.2269	2.0732	2.0732	1.8885
N3	2.5365	1.2269		3.2134	3.2134	1.0155
H4	1.0779	2.0732	3.2134		1.8675	3.7745
H5	1.0779	2.0732	3.2134	1.8675		3.7745
H6	3.1343	1.8885	1.0155	3.7745	3.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.524	C2	C1	H4	119.969
C2	C1	H5	119.969	C2	N3	H6	114.421
H4	C1	H5	120.054

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)