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	hartrees
Energy at 0K	-244.469544
Energy at 298.15K
HF Energy	-243.725329
Nuclear repulsion energy	125.273699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3206	2.71
2	A'	3108	3108	1.79
3	A'	1506	1506	13.83
4	A'	1486	1486	80.07
5	A'	1447	1447	3.53
6	A'	1163	1163	0.39
7	A'	968	968	8.56
8	A'	691	691	28.10
9	A'	622	622	6.61
10	A"	3234	3234	0.70
11	A"	1717	1717	315.59
12	A"	1492	1492	28.34
13	A"	1135	1135	16.07
14	A"	494	494	0.65
15	A"	46	46	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.320	0.000
N2	-0.014	0.176	0.000
H3	1.051	-1.623	0.000
H4	-0.497	-1.658	0.907
H5	-0.497	-1.658	-0.907
O6	0.002	0.727	-1.084
O7	0.002	0.727	1.084

	C1	N2	H3	H4	H5	O6	O7
C1		1.4955	1.0919	1.0884	1.0884	2.3159	2.3159
N2	1.4955		2.0898	2.1019	2.1019	1.2160	1.2160
H3	1.0919	2.0898		1.7937	1.7937	2.7919	2.7919
H4	1.0884	2.1019	1.7937		1.8131	3.1461	2.4430
H5	1.0884	2.1019	1.7937	1.8131		2.4430	3.1461
O6	2.3159	1.2160	2.7919	3.1461	2.4430		2.1675
O7	2.3159	1.2160	2.7919	2.4430	3.1461	2.1675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.944	C1	N2	O7	116.944
N2	C1	H3	106.702	N2	C1	H4	107.824
N2	C1	H5	107.824	H3	C1	H4	110.712
H3	C1	H5	110.712	H4	C1	H5	112.791
O6	N2	O7	126.068

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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