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	hartrees
Energy at 0K	-132.454709
Energy at 298.15K	-132.457294
HF Energy	-131.929769
Nuclear repulsion energy	59.667946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3540	3540	26.40
2	A'	3210	3210	8.25
3	A'	2140	2140	363.98
4	A'	1473	1473	2.35
5	A'	1170	1170	22.80
6	A'	1065	1065	195.85
7	A'	744	744	86.56
8	A'	480	480	21.40
9	A"	3307	3307	0.77
10	A"	1022	1022	0.10
11	A"	930	930	51.41
12	A"	420	420	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	-1.251	0.000
C2	0.000	0.059	0.000
N3	-0.110	1.278	0.000
H4	0.006	-1.789	0.933
H5	0.006	-1.789	-0.933
H6	0.773	1.778	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3102	2.5312	1.0775	1.0775	3.1261
C2	1.3102		1.2237	2.0707	2.0707	1.8843
N3	2.5312	1.2237		3.2080	3.2080	1.0151
H4	1.0775	2.0707	3.2080		1.8670	3.7659
H5	1.0775	2.0707	3.2080	1.8670		3.7659
H6	3.1261	1.8843	1.0151	3.7659	3.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.739	C2	C1	H4	119.961
C2	C1	H5	119.961	C2	N3	H6	114.313
H4	C1	H5	120.070

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)