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	hartrees
Energy at 0K	-244.711953
Energy at 298.15K
HF Energy	-243.776044
Nuclear repulsion energy	125.031438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3065	1.15
2	A'	3118	2961	1.35
3	A'	1497	1422	12.09
4	A'	1430	1358	11.12
5	A'	1420	1348	42.58
6	A'	1148	1090	0.16
7	A'	947	900	4.54
8	A'	677	643	22.61
9	A'	607	576	2.90
10	A"	3254	3090	0.07
11	A"	1752	1664	170.12
12	A"	1489	1414	24.90
13	A"	1129	1072	3.39
14	A"	484	459	0.87
15	A"	13	12	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.315	0.000
N2	-0.011	0.167	0.000
H3	1.042	-1.620	0.000
H4	-0.492	-1.653	0.902
H5	-0.492	-1.653	-0.902
O6	0.001	0.728	-1.090
O7	0.001	0.728	1.090

	C1	N2	H3	H4	H5	O6	O7
C1		1.4823	1.0850	1.0818	1.0818	2.3157	2.3157
N2	1.4823		2.0738	2.0872	2.0872	1.2260	1.2260
H3	1.0850	2.0738		1.7802	1.7802	2.7900	2.7900
H4	1.0818	2.0872	1.7802		1.8036	3.1429	2.4384
H5	1.0818	2.0872	1.7802	1.8036		2.4384	3.1429
O6	2.3157	1.2260	2.7900	3.1429	2.4384		2.1801
O7	2.3157	1.2260	2.7900	2.4384	3.1429	2.1801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.223	C1	N2	O7	117.223
N2	C1	H3	106.737	N2	C1	H4	107.962
N2	C1	H5	107.962	H3	C1	H4	110.490
H3	C1	H5	110.490	H4	C1	H5	112.940
O6	N2	O7	125.532

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

using model chemistry: MP2/aug-cc-pVQZ

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: MP2/aug-cc-pVQZ

States and conformations

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