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	hartrees
Energy at 0K	-244.631774
Energy at 298.15K
HF Energy	-243.763457
Nuclear repulsion energy	125.904676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3069	1.32
2	A'	3110	2976	1.36
3	A'	1517	1452	45.85
4	A'	1501	1437	32.18
5	A'	1448	1386	2.03
6	A'	1169	1119	0.48
7	A'	977	935	4.74
8	A'	695	665	27.09
9	A'	635	608	5.39
10	A"	3236	3097	0.04
11	A"	1744	1669	423.37
12	A"	1497	1433	34.78
13	A"	1140	1091	15.30
14	A"	494	473	1.33
15	A"	25i	24i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-1.314	0.000
N2	-0.010	0.172	0.000
H3	1.044	-1.617	0.000
H4	-0.494	-1.651	0.903
H5	-0.494	-1.651	-0.903
O6	0.000	0.725	-1.077
O7	0.000	0.725	1.077

	C1	N2	H3	H4	H5	O6	O7
C1		1.4858	1.0870	1.0835	1.0835	2.3053	2.3053
N2	1.4858		2.0767	2.0913	2.0913	1.2105	1.2105
H3	1.0870	2.0767		1.7840	1.7840	2.7810	2.7810
H4	1.0835	2.0913	1.7840		1.8066	3.1318	2.4324
H5	1.0835	2.0913	1.7840	1.8066		2.4324	3.1318
O6	2.3053	1.2105	2.7810	3.1318	2.4324		2.1540
O7	2.3053	1.2105	2.7810	2.4324	3.1318	2.1540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.151	C1	N2	O7	117.151
N2	C1	H3	106.613	N2	C1	H4	107.943
N2	C1	H5	107.943	H3	C1	H4	110.554
H3	C1	H5	110.554	H4	C1	H5	112.961
O6	N2	O7	125.681

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

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