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	hartrees
Energy at 0K	-132.673410
Energy at 298.15K	-132.675987
HF Energy	-132.673410
Nuclear repulsion energy	59.447818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3508	41.46
2	A'	3190	3190	16.57
3	A'	2155	2155	454.13
4	A'	1425	1425	3.70
5	A'	1176	1176	22.18
6	A'	1027	1027	182.11
7	A'	747	747	88.49
8	A'	483	483	23.70
9	A"	3292	3292	2.60
10	A"	987	987	0.11
11	A"	896	896	52.79
12	A"	420	420	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	-1.254	0.000
C2	0.000	0.060	0.000
N3	-0.154	1.276	0.000
H4	0.063	-1.795	0.941
H5	0.063	-1.795	-0.941
H6	0.712	1.819	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3144	2.5376	1.0857	1.0857	3.1452
C2	1.3144		1.2260	2.0812	2.0812	1.8974
N3	2.5376	1.2260		3.2198	3.2198	1.0222
H4	1.0857	2.0812	3.2198		1.8815	3.7905
H5	1.0857	2.0812	3.2198	1.8815		3.7905
H6	3.1452	1.8974	1.0222	3.7905	3.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.527	C2	C1	H4	119.946
C2	C1	H5	119.946	C2	N3	H6	114.825
H4	C1	H5	120.103

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: M06-2X/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	0.807
2	C	-0.035
3	N	-0.136
4	H	-0.347
5	H	-0.347
6	H	0.059

	x	y	z	Total
	1.437	-0.461	0.000	1.509
CHELPG
AIM
ESP

	x	y	z
x	3.802	-0.073	0.000
y	-0.073	8.010	0.000
z	0.000	0.000	3.617

<r²>	44.263
(<r²>)^1/2	6.653

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)