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	hartrees
Energy at 0K	-132.598246
Energy at 298.15K
HF Energy	-132.447830
Nuclear repulsion energy	59.147578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3360	22.95
2	A'	3194	3073	9.68
3	A'	2099	2019	385.42
4	A'	1430	1376	4.05
5	A'	1151	1108	20.69
6	A'	1033	994	199.70
7	A'	711	684	88.66
8	A'	466	448	20.52
9	A"	3296	3172	0.99
10	A"	993	956	0.38
11	A"	891	858	50.53
12	A"	411	395	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.201	-1.246	0.000
C2	0.000	0.060	0.000
N3	-0.321	1.252	0.000
H4	0.292	-1.783	0.941
H5	0.292	-1.783	-0.941
H6	0.456	1.917	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3216	2.5517	1.0871	1.0871	3.1731
C2	1.3216		1.2340	2.0897	2.0897	1.9118
N3	2.5517	1.2340		3.2356	3.2356	1.0226
H4	1.0871	2.0897	3.2356		1.8819	3.8208
H5	1.0871	2.0897	3.2356	1.8819		3.8208
H6	3.1731	1.9118	1.0226	3.8208	3.8208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.673	C2	C1	H4	120.048
C2	C1	H5	120.048	C2	N3	H6	115.497
H4	C1	H5	119.895

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP=FULLultrafine/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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)