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	hartrees
Energy at 0K	-244.389478
Energy at 298.15K
HF Energy	-243.667637
Nuclear repulsion energy	123.881090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3085	1.32
2	A'	3167	2975	2.40
3	A'	1529	1436	11.34
4	A'	1462	1373	0.34
5	A'	1423	1337	47.48
6	A'	1165	1094	0.13
7	A'	938	881	3.48
8	A'	665	625	23.86
9	A'	593	557	2.84
10	A"	3311	3110	0.00
11	A"	1781	1673	140.42
12	A"	1521	1429	22.47
13	A"	1151	1081	3.59
14	A"	483	454	0.61
15	A"	48	45	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.323	0.000
N2	-0.013	0.164	0.000
H3	1.043	-1.629	0.000
H4	-0.495	-1.658	0.902
H5	-0.495	-1.658	-0.902
O6	0.002	0.733	-1.105
O7	0.002	0.733	1.105

	C1	N2	H3	H4	H5	O6	O7
C1		1.4880	1.0855	1.0825	1.0825	2.3346	2.3346
N2	1.4880		2.0818	2.0893	2.0893	1.2425	1.2425
H3	1.0855	2.0818		1.7836	1.7836	2.8083	2.8083
H4	1.0825	2.0893	1.7836		1.8034	3.1605	2.4505
H5	1.0825	2.0893	1.7836	1.8034		2.4505	3.1605
O6	2.3346	1.2425	2.8083	3.1605	2.4505		2.2090
O7	2.3346	1.2425	2.8083	2.4505	3.1605	2.2090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.240	C1	N2	O7	117.240
N2	C1	H3	106.943	N2	C1	H4	107.698
N2	C1	H5	107.698	H3	C1	H4	110.712
H3	C1	H5	110.712	H4	C1	H5	112.810
O6	N2	O7	125.480

All results from a given calculation for CH₃NO₂ (Methane, nitro-)

using model chemistry: MP2=FULL/6-31+G**

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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All results from a given calculation for CH3NO2 (Methane, nitro-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃NO₂ (Methane, nitro-)