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	hartrees
Energy at 0K	-93.430546
Energy at 298.15K
HF Energy	-93.430546
Nuclear repulsion energy	31.924610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3467	3467	11.30
2	A'	3412	3412	16.79
3	A'	3296	3296	0.01
4	A'	1760	1760	4.73
5	A'	1556	1556	0.44
6	A'	1482	1482	25.39
7	A'	1101	1101	17.30
8	A"	1234	1234	21.85
9	A"	1054	1054	12.29

Atom	x (Å)	y (Å)
C1	0.060	0.601
N2	0.060	-0.712
H3	-0.830	1.264
H4	1.036	1.121
H5	-0.982	-1.006

	C1	N2	H3	H4	H5
C1		1.3133	1.1096	1.1056	1.9156
N2	1.3133		2.1671	2.0764	1.0826
H3	1.1096	2.1671		1.8715	2.2752
H4	1.1056	2.0764	1.8715		2.9318
H5	1.9156	1.0826	2.2752	2.9318

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	105.768		N2	C1	H3	126.666
N2	C1	H4	118.025		H3	C1	H4	115.308

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/STO-3G

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	-0.046
2	N	-0.251
3	H	0.069
4	H	0.081
5	H	0.147

	x	y	z	Total
	-1.299	1.186	0.000	1.759
CHELPG
AIM
ESP

	x	y	z
x	1.458	0.379	0.000
y	0.379	2.138	0.000
z	0.000	0.000	0.453

<r²>	19.665
(<r²>)^1/2	4.435

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)