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	hartrees
Energy at 0K	-132.731628
Energy at 298.15K	-132.734198
HF Energy	-132.731628
Nuclear repulsion energy	59.858040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3528	3528	26.14
2	A'	3192	3192	11.11
3	A'	2149	2149	425.82
4	A'	1438	1438	5.03
5	A'	1178	1178	18.27
6	A'	1022	1022	211.35
7	A'	714	714	93.99
8	A'	493	493	23.51
9	A"	3284	3284	1.87
10	A"	998	998	0.21
11	A"	902	902	54.68
12	A"	425	425	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.060	-1.244	0.000
C2	0.000	0.059	0.000
N3	-0.173	1.263	0.000
H4	0.093	-1.786	0.933
H5	0.093	-1.786	-0.933
H6	0.663	1.840	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3046	2.5181	1.0794	1.0794	3.1420
C2	1.3046		1.2165	2.0698	2.0698	1.8999
N3	2.5181	1.2165		3.2000	3.2000	1.0154
H4	1.0794	2.0698	3.2000		1.8655	3.7870
H5	1.0794	2.0698	3.2000	1.8655		3.7870
H6	3.1420	1.8999	1.0154	3.7870	3.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.472	C2	C1	H4	120.208
C2	C1	H5	120.208	C2	N3	H6	116.411
H4	C1	H5	119.576

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: mPW1PW91/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	-0.251
2	C	0.049
3	N	-0.213
4	H	0.112
5	H	0.112
6	H	0.191

	x	y	z	Total
	1.433	-0.321	0.000	1.468
CHELPG
AIM
ESP

	x	y	z
x	3.269	-0.120	0.000
y	-0.120	7.762	0.000
z	0.000	0.000	3.160

<r²>	43.673
(<r²>)^1/2	6.609

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)