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	hartrees
Energy at 0K	-244.678079
Energy at 298.15K
HF Energy	-243.756305
Nuclear repulsion energy	125.338532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3069	1.29
2	A'	3140	2981	1.23
3	A'	1509	1433	11.26
4	A'	1438	1365	46.18
5	A'	1426	1354	17.46
6	A'	1148	1090	0.45
7	A'	956	908	6.82
8	A'	686	651	24.78
9	A'	620	589	3.45
10	A"	3260	3095	0.00
11	A"	1783	1692	138.81
12	A"	1499	1423	22.95
13	A"	1125	1068	3.01
14	A"	486	461	0.56
15	A"	48i	46i	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.309	0.000
N2	-0.010	0.168	0.000
H3	1.038	-1.619	0.000
H4	-0.492	-1.647	0.898
H5	-0.492	-1.647	-0.898
O6	0.001	0.724	-1.090
O7	0.001	0.724	1.090

	C1	N2	H3	H4	H5	O6	O7
C1		1.4773	1.0822	1.0789	1.0789	2.3070	2.3070
N2	1.4773		2.0711	2.0819	2.0819	1.2234	1.2234
H3	1.0822	2.0711		1.7742	1.7742	2.7842	2.7842
H4	1.0789	2.0819	1.7742		1.7969	3.1334	2.4295
H5	1.0789	2.0819	1.7742	1.7969		2.4295	3.1334
O6	2.3070	1.2234	2.7842	3.1334	2.4295		2.1791
O7	2.3070	1.2234	2.7842	2.4295	3.1334	2.1791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.039	C1	N2	O7	117.039
N2	C1	H3	107.018	N2	C1	H4	108.050
N2	C1	H5	108.050	H3	C1	H4	110.369
H3	C1	H5	110.369	H4	C1	H5	112.762
O6	N2	O7	125.903

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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