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	hartrees
Energy at 0K	-94.591358
Energy at 298.15K
HF Energy	-94.591358
Nuclear repulsion energy	32.920670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3300	3.77
2	A'	3180	3016	40.13
3	A'	3071	2913	46.07
4	A'	1761	1670	26.10
5	A'	1524	1445	5.12
6	A'	1398	1326	44.66
7	A'	1097	1040	37.53
8	A"	1186	1125	53.39
9	A"	1105	1049	14.90

Atom	x (Å)	y (Å)
C1	0.056	0.584
N2	0.056	-0.684
H3	-0.840	1.218
H4	1.015	1.107
H5	-0.904	-1.039

	C1	N2	H3	H4	H5
C1		1.2679	1.0973	1.0920	1.8857
N2	1.2679		2.1021	2.0314	1.0238
H3	1.0973	2.1021		1.8577	2.2576
H4	1.0920	2.0314	1.8577		2.8788
H5	1.8857	1.0238	2.2576	2.8788

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.286		N2	C1	H3	125.282
N2	C1	H4	118.623		H3	C1	H4	116.095

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: wB97X-D/6-31G*

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	-0.150
2	N	-0.486
3	H	0.152
4	H	0.175
5	H	0.309

	x	y	z	Total
	-1.479	1.451	0.000	2.072
CHELPG
AIM
ESP

	x	y	z
x	2.555	0.268	0.000
y	0.268	3.645	0.000
z	0.000	0.000	1.162

<r²>	19.429
(<r²>)^1/2	4.408

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)