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	hartrees
Energy at 0K	-132.351069
Energy at 298.15K	-132.353623
HF Energy	-131.892942
Nuclear repulsion energy	58.901342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3497	3373	18.70
2	A'	3196	3083	6.23
3	A'	2108	2033	343.13
4	A'	1451	1399	1.38
5	A'	1153	1112	30.82
6	A'	1072	1034	165.37
7	A'	739	713	78.99
8	A'	458	441	18.15
9	A"	3301	3184	0.14
10	A"	1008	972	1.17
11	A"	919	887	47.28
12	A"	406	392	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.108	-1.263	0.000
C2	0.000	0.061	0.000
N3	-0.228	1.280	0.000
H4	0.162	-1.805	0.945
H5	0.162	-1.805	-0.945
H6	0.621	1.856	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3282	2.5650	1.0908	1.0908	3.1609
C2	1.3282		1.2402	2.0978	2.0978	1.8995
N3	2.5650	1.2402		3.2499	3.2499	1.0257
H4	1.0908	2.0978	3.2499		1.8903	3.8087
H5	1.0908	2.0978	3.2499	1.8903		3.8087
H6	3.1609	1.8995	1.0257	3.8087	3.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.090	C2	C1	H4	119.945
C2	C1	H5	119.945	C2	N3	H6	113.586
H4	C1	H5	120.099

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: CCD/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)