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	hartrees
Energy at 0K	-132.327043
Energy at 298.15K	-132.329593
HF Energy	-131.884606
Nuclear repulsion energy	58.927415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3337	9.75
2	A'	3210	3071	5.41
3	A'	2138	2046	258.47
4	A'	1457	1394	1.09
5	A'	1163	1113	39.30
6	A'	1087	1040	147.61
7	A'	729	697	81.31
8	A'	457	437	18.48
9	A"	3315	3172	0.18
10	A"	1012	968	0.11
11	A"	933	892	46.73
12	A"	405	387	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-1.265	0.000
C2	0.000	0.061	0.000
N3	-0.097	1.298	0.000
H4	-0.017	-1.811	0.946
H5	-0.017	-1.811	-0.946
H6	0.825	1.757	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3261	2.5635	1.0927	1.0927	3.1368
C2	1.3261		1.2401	2.0981	2.0981	1.8853
N3	2.5635	1.2401		3.2507	3.2507	1.0297
H4	1.0927	2.0981	3.2507		1.8924	3.7862
H5	1.0927	2.0981	3.2507	1.8924		3.7862
H6	3.1368	1.8853	1.0297	3.7862	3.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.715	C2	C1	H4	120.009
C2	C1	H5	120.009	C2	N3	H6	111.989
H4	C1	H5	119.973

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)