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	hartrees
Energy at 0K	-244.678341
Energy at 298.15K
HF Energy	-243.759217
Nuclear repulsion energy	126.127051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3045	1.65
2	A'	3131	2969	1.26
3	A'	1516	1438	20.39
4	A'	1500	1422	67.97
5	A'	1442	1367	2.53
6	A'	1164	1104	0.92
7	A'	977	926	6.52
8	A'	698	662	27.57
9	A'	642	609	6.03
10	A"	3240	3072	0.22
11	A"	1714	1625	350.62
12	A"	1501	1423	37.06
13	A"	1131	1072	14.74
14	A"	493	468	0.82
15	A"	52i	49i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.308	0.000
N2	-0.009	0.172	0.000
H3	1.039	-1.614	0.000
H4	-0.492	-1.645	0.899
H5	-0.492	-1.645	-0.899
O6	0.001	0.722	-1.078
O7	0.001	0.722	1.078

	C1	N2	H3	H4	H5	O6	O7
C1		1.4809	1.0828	1.0793	1.0793	2.2984	2.2984
N2	1.4809		2.0714	2.0843	2.0843	1.2096	1.2096
H3	1.0828	2.0714		1.7764	1.7764	2.7741	2.7741
H4	1.0793	2.0843	1.7764		1.7988	3.1228	2.4239
H5	1.0793	2.0843	1.7764	1.7988		2.4239	3.1228
O6	2.2984	1.2096	2.7741	3.1228	2.4239		2.1553
O7	2.2984	1.2096	2.7741	2.4239	3.1228	2.1553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.005	C1	N2	O7	117.005
N2	C1	H3	106.767	N2	C1	H4	107.976
N2	C1	H5	107.976	H3	C1	H4	110.493
H3	C1	H5	110.493	H4	C1	H5	112.882
O6	N2	O7	125.971

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

using model chemistry: CCSD=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: CCSD=FULL/cc-pVTZ

States and conformations

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