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	hartrees
Energy at 0K	-132.650881
Energy at 298.15K	-132.653356
HF Energy	-132.650881
Nuclear repulsion energy	59.024027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3380	3380	6.99
2	A'	3116	3116	5.46
3	A'	2070	2070	359.89
4	A'	1389	1389	4.63
5	A'	1135	1135	20.42
6	A'	1025	1025	177.18
7	A'	671	671	86.75
8	A'	448	448	17.24
9	A"	3210	3210	0.07
10	A"	962	962	0.40
11	A"	868	868	47.27
12	A"	398	398	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.308	-1.225	0.000
C2	0.000	0.061	0.000
N3	-0.432	1.220	0.000
H4	0.446	-1.758	0.942
H5	0.446	-1.758	-0.942
H6	0.284	1.957	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3227	2.5543	1.0917	1.0917	3.1818
C2	1.3227		1.2364	2.0973	2.0973	1.9166
N3	2.5543	1.2364		3.2449	3.2449	1.0274
H4	1.0917	2.0973	3.2449		1.8849	3.8363
H5	1.0917	2.0973	3.2449	1.8849		3.8363
H6	3.1818	1.9166	1.0274	3.8363	3.8363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.016	C2	C1	H4	120.311
C2	C1	H5	120.311	C2	N3	H6	115.380
H4	C1	H5	119.367

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B97D3/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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Number	Element	Mulliken
1	C	0.752
2	C	0.019
3	N	-0.143
4	H	-0.338
5	H	-0.338
6	H	0.048

	x	y	z	Total
	1.402	-0.115	0.000	1.407
CHELPG
AIM
ESP

	x	y	z
x	4.287	-0.996	0.000
y	-0.996	8.277	0.000
z	0.000	0.000	3.791

<r²>	44.772
(<r²>)^1/2	6.691

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)