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	hartrees
Energy at 0K	-132.576436
Energy at 298.15K	-132.578913
HF Energy	-132.576436
Nuclear repulsion energy	59.217010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3371	3336	2.93
2	A'	3096	3064	4.95
3	A'	2089	2067	305.45
4	A'	1392	1377	6.76
5	A'	1140	1128	24.78
6	A'	1022	1011	202.04
7	A'	638	632	105.54
8	A'	467	462	19.49
9	A"	3179	3146	0.07
10	A"	972	962	0.70
11	A"	886	877	57.69
12	A"	408	404	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.244	-1.233	0.000
C2	0.000	0.060	0.000
N3	-0.365	1.236	0.000
H4	0.355	-1.778	0.938
H5	0.355	-1.778	-0.938
H6	0.382	1.943	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3163	2.5432	1.0907	1.0907	3.1798
C2	1.3163		1.2311	2.0942	2.0942	1.9215
N3	2.5432	1.2311		3.2378	3.2378	1.0286
H4	1.0907	2.0942	3.2378		1.8768	3.8380
H5	1.0907	2.0942	3.2378	1.8768		3.8380
H6	3.1798	1.9215	1.0286	3.8380	3.8380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.429	C2	C1	H4	120.641
C2	C1	H5	120.641	C2	N3	H6	116.211
H4	C1	H5	118.710

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBEPBEultrafine/6-311G*

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	-0.513
2	C	0.263
3	N	-0.540
4	H	0.241
5	H	0.241
6	H	0.309

	x	y	z	Total
	1.542	0.006	0.000	1.542
CHELPG
AIM
ESP

	x	y	z
x	2.600	-0.806	0.000
y	-0.806	7.417	0.000
z	0.000	0.000	2.687

<r²>	44.351
(<r²>)^1/2	6.660

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)