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	hartrees
Energy at 0K	-244.511011
Energy at 298.15K
HF Energy	-243.686966
Nuclear repulsion energy	125.365587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3061	1.06
2	A'	3129	2965	1.14
3	A'	1503	1424	15.17
4	A'	1483	1405	69.22
5	A'	1441	1366	3.13
6	A'	1164	1103	0.94
7	A'	958	908	6.12
8	A'	684	648	26.29
9	A'	625	592	5.71
10	A"	3258	3086	0.15
11	A"	1692	1603	294.29
12	A"	1492	1413	35.76
13	A"	1131	1071	13.27
14	A"	484	459	0.78
15	A"	27i	25i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	-1.307	0.000
N2	-0.110	0.180	0.000
H3	1.092	-1.534	0.000
H4	-0.441	-1.686	0.905
H5	-0.441	-1.686	-0.905
O6	0.025	0.718	-1.079
O7	0.025	0.718	1.079

	C1	N2	H3	H4	H5	O6	O7
C1		1.4929	1.0901	1.0864	1.0864	2.2941	2.2941
N2	1.4929		2.0934	2.0999	2.0999	1.2129	1.2129
H3	1.0901	2.0934		1.7860	1.7860	2.7152	2.7152
H4	1.0864	2.0999	1.7860		1.8103	3.1512	2.4545
H5	1.0864	2.0999	1.7860	1.8103		2.4545	3.1512
O6	2.2941	1.2129	2.7152	3.1512	2.4545		2.1573
O7	2.2941	1.2129	2.7152	2.4545	3.1512	2.1573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	115.566	C1	N2	O7	115.566
N2	C1	H3	107.249	N2	C1	H4	107.966
N2	C1	H5	107.966	H3	C1	H4	110.292
H3	C1	H5	110.292	H4	C1	H5	112.861
O6	N2	O7	125.568

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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