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	hartrees
Energy at 0K	-132.721221
Energy at 298.15K	-132.723703
HF Energy	-132.721221
Nuclear repulsion energy	59.243322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3340	3332	5.79
2	A'	3091	3083	6.55
3	A'	2055	2050	345.03
4	A'	1400	1396	6.70
5	A'	1133	1130	16.10
6	A'	985	982	207.98
7	A'	676	675	102.59
8	A'	453	452	19.68
9	A"	3170	3162	0.44
10	A"	977	974	0.28
11	A"	875	872	57.92
12	A"	405	404	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.256	-1.231	0.000
C2	0.000	0.060	0.000
N3	-0.376	1.232	0.000
H4	0.372	-1.773	0.936
H5	0.372	-1.773	-0.936
H6	0.355	1.954	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3164	2.5428	1.0875	1.0875	3.1874
C2	1.3164		1.2306	2.0912	2.0912	1.9275
N3	2.5428	1.2306		3.2345	3.2345	1.0280
H4	1.0875	2.0912	3.2345		1.8721	3.8429
H5	1.0875	2.0912	3.2345	1.8721		3.8429
H6	3.1874	1.9275	1.0280	3.8429	3.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.402	C2	C1	H4	120.598
C2	C1	H5	120.598	C2	N3	H6	116.879
H4	C1	H5	118.796

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/TZVP

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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Number	Element	Mulliken
1	C	-0.413
2	C	0.163
3	N	-0.261
4	H	0.148
5	H	0.148
6	H	0.216

	x	y	z	Total
	1.535	-0.039	0.000	1.536
CHELPG
AIM
ESP

	x	y	z
x	3.209	-0.911	0.000
y	-0.911	7.988	0.000
z	0.000	0.000	2.934

<r²>	44.627
(<r²>)^1/2	6.680

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)