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	hartrees
Energy at 0K	-244.915524
Energy at 298.15K
HF Energy	-244.644359
Nuclear repulsion energy	124.545474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3060	1.94
2	A'	3109	2967	1.29
3	A'	1496	1428	12.61
4	A'	1439	1373	0.22
5	A'	1383	1320	80.94
6	A'	1151	1099	0.25
7	A'	923	880	8.57
8	A'	664	633	19.59
9	A'	603	576	4.65
10	A"	3235	3087	0.21
11	A"	1601	1528	230.09
12	A"	1485	1417	52.80
13	A"	1127	1076	12.31
14	A"	483	461	0.65
15	A"	17	17	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.327	0.000
N2	-0.012	0.171	0.000
H3	1.045	-1.630	0.000
H4	-0.494	-1.664	0.902
H5	-0.494	-1.664	-0.902
O6	0.001	0.732	-1.092
O7	0.001	0.732	1.092

	C1	N2	H3	H4	H5	O6	O7
C1		1.4981	1.0866	1.0832	1.0832	2.3307	2.3307
N2	1.4981		2.0881	2.1016	2.1016	1.2276	1.2276
H3	1.0866	2.0881		1.7839	1.7839	2.8037	2.8037
H4	1.0832	2.1016	1.7839		1.8048	3.1570	2.4548
H5	1.0832	2.1016	1.7839	1.8048		2.4548	3.1570
O6	2.3307	1.2276	2.8037	3.1570	2.4548		2.1834
O7	2.3307	1.2276	2.8037	2.4548	3.1570	2.1834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.195	C1	N2	O7	117.195
N2	C1	H3	106.692	N2	C1	H4	107.928
N2	C1	H5	107.928	H3	C1	H4	110.601
H3	C1	H5	110.601	H4	C1	H5	112.829
O6	N2	O7	125.581

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

using model chemistry: B2PLYP=FULL/TZVP

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: B2PLYP=FULL/TZVP

States and conformations

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