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	hartrees
Energy at 0K	-243.952992
Energy at 298.15K
HF Energy	-243.523363
Nuclear repulsion energy	123.056612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3060	1.51
2	A'	3162	2965	0.80
3	A'	1566	1469	15.38
4	A'	1520	1426	0.23
5	A'	1409	1321	57.00
6	A'	1216	1140	0.39
7	A'	931	873	1.85
8	A'	674	633	35.28
9	A'	614	576	6.53
10	A"	3293	3088	0.06
11	A"	1620	1519	153.51
12	A"	1554	1457	118.76
13	A"	1172	1099	31.26
14	A"	495	464	0.81
15	A"	37	34	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.333	0.000
N2	-0.012	0.162	0.000
H3	1.045	-1.651	0.000
H4	-0.502	-1.665	0.903
H5	-0.502	-1.665	-0.903
O6	0.002	0.740	-1.111
O7	0.002	0.740	1.111

	C1	N2	H3	H4	H5	O6	O7
C1		1.4955	1.0900	1.0860	1.0860	2.3523	2.3523
N2	1.4955		2.0990	2.0958	2.0958	1.2523	1.2523
H3	1.0900	2.0990		1.7911	1.7911	2.8355	2.8355
H4	1.0860	2.0958	1.7911		1.8061	3.1770	2.4659
H5	1.0860	2.0958	1.7911	1.8061		2.4659	3.1770
O6	2.3523	1.2523	2.8355	3.1770	2.4659		2.2216
O7	2.3523	1.2523	2.8355	2.4659	3.1770	2.2216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.482	C1	N2	O7	117.482
N2	C1	H3	107.518	N2	C1	H4	107.492
N2	C1	H5	107.492	H3	C1	H4	110.796
H3	C1	H5	110.796	H4	C1	H5	112.506
O6	N2	O7	124.999

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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