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	hartrees
Energy at 0K	-94.597346
Energy at 298.15K
HF Energy	-94.597346
Nuclear repulsion energy	32.577900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3217	22.00
2	A'	3184	3063	39.49
3	A'	3045	2929	56.95
4	A'	1696	1632	13.39
5	A'	1525	1468	4.24
6	A'	1367	1315	49.28
7	A'	1078	1037	52.08
8	A"	1182	1137	63.87
9	A"	1110	1068	21.28

Atom	x (Å)	y (Å)
C1	0.055	0.596
N2	0.055	-0.690
H3	-0.833	1.239
H4	1.014	1.109
H5	-0.895	-1.096

	C1	N2	H3	H4	H5
C1		1.2858	1.0962	1.0879	1.9407
N2	1.2858		2.1232	2.0386	1.0331
H3	1.0962	2.1232		1.8519	2.3361
H4	1.0879	2.0386	1.8519		2.9169
H5	1.9407	1.0331	2.3361	2.9169

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	113.190		N2	C1	H3	125.896
N2	C1	H4	118.136		H3	C1	H4	115.967

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/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	-0.134
2	N	-0.443
3	H	0.138
4	H	0.168
5	H	0.270

	x	y	z	Total
	-1.629	1.428	0.000	2.166
CHELPG
AIM
ESP

	x	y	z
x	2.533	0.284	0.000
y	0.284	3.803	0.000
z	0.000	0.000	1.036

<r²>	19.831
(<r²>)^1/2	4.453

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)