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	hartrees
Energy at 0K	-132.718639
Energy at 298.15K	-132.721221
HF Energy	-132.718639
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3384	32.28
2	A'	3196	3053	11.19
3	A'	2144	2048	462.21
4	A'	1450	1385	4.76
5	A'	1177	1124	19.26
6	A'	1028	982	211.60
7	A'	727	695	97.00
8	A'	492	470	24.86
9	A"	3293	3145	1.80
10	A"	1010	965	0.20
11	A"	908	867	55.60
12	A"	427	408	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	-1.245	0.000
C2	0.000	0.059	0.000
N3	-0.135	1.269	0.000
H4	0.041	-1.785	0.935
H5	0.041	-1.785	-0.935
H6	0.725	1.809	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3045	2.5191	1.0794	1.0794	3.1341
C2	1.3045		1.2173	2.0678	2.0678	1.8943
N3	2.5191	1.2173		3.1985	3.1985	1.0153
H4	1.0794	2.0678	3.1985		1.8690	3.7762
H5	1.0794	2.0678	3.1985	1.8690		3.7762
H6	3.1341	1.8943	1.0153	3.7762	3.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.642	C2	C1	H4	120.019
C2	C1	H5	120.019	C2	N3	H6	115.798
H4	C1	H5	119.953

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: wB97X-D/Def2TZVPP

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	-0.248
2	C	0.063
3	N	-0.209
4	H	0.113
5	H	0.113
6	H	0.169

	x	y	z	Total
	1.458	-0.395	0.000	1.511
CHELPG
AIM
ESP

	x	y	z
x	3.276	-0.002	0.000
y	-0.002	7.792	0.000
z	0.000	0.000	3.175

<r²>	43.675
(<r²>)^1/2	6.609

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)