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	hartrees
Energy at 0K	-244.437245
Energy at 298.15K
HF Energy	-243.721538
Nuclear repulsion energy	125.641533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3059	2.35
2	A'	3103	2963	1.51
3	A'	1525	1457	74.93
4	A'	1506	1438	22.82
5	A'	1459	1393	5.78
6	A'	1174	1121	0.99
7	A'	986	942	8.76
8	A'	703	672	29.23
9	A'	631	603	6.57
10	A"	3231	3086	0.59
11	A"	1799	1718	346.10
12	A"	1500	1432	29.99
13	A"	1149	1097	12.95
14	A"	503	480	0.88
15	A"	31	30	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.316	0.000
N2	-0.014	0.174	0.000
H3	1.050	-1.621	0.000
H4	-0.496	-1.657	0.906
H5	-0.496	-1.657	-0.906
O6	0.002	0.726	-1.079
O7	0.002	0.726	1.079

	C1	N2	H3	H4	H5	O6	O7
C1		1.4905	1.0918	1.0882	1.0882	2.3093	2.3093
N2	1.4905		2.0869	2.0989	2.0989	1.2119	1.2119
H3	1.0918	2.0869		1.7921	1.7921	2.7876	2.7876
H4	1.0882	2.0989	1.7921		1.8120	3.1406	2.4397
H5	1.0882	2.0989	1.7921	1.8120		2.4397	3.1406
O6	2.3093	1.2119	2.7876	3.1406	2.4397		2.1583
O7	2.3093	1.2119	2.7876	2.4397	3.1406	2.1583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.046	C1	N2	O7	117.046
N2	C1	H3	106.819	N2	C1	H4	107.951
N2	C1	H5	107.951	H3	C1	H4	110.577
H3	C1	H5	110.577	H4	C1	H5	112.718
O6	N2	O7	125.864

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

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

States and conformations

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