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	hartrees
Energy at 0K	-240.690414
Energy at 298.15K
HF Energy	-240.415767
Nuclear repulsion energy	117.166177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3564	3168	0.00
2	A'	3370	2996	0.33
3	A'	1667	1482	3.76
4	A'	1547	1375	1.59
5	A'	1341	1192	11.91
6	A'	1167	1037	0.21
7	A'	923	821	8.59
8	A'	561	499	17.82
9	A'	484	430	0.08
10	A"	3574	3177	0.66
11	A"	2089	1857	155.42
12	A"	1678	1492	2.04
13	A"	1160	1031	0.31
14	A"	410	365	0.34
15	A"	31i	27i	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.390	0.000
N2	-0.005	0.167	0.000
H3	1.047	-1.749	0.000
H4	-0.521	-1.736	0.911
H5	-0.521	-1.736	-0.911
O6	0.001	0.774	-1.181
O7	0.001	0.774	1.181

	C1	N2	H3	H4	H5	O6	O7
C1		1.5570	1.1063	1.1054	1.1054	2.4647	2.4647
N2	1.5570		2.1865	2.1721	2.1721	1.3273	1.3273
H3	1.1063	2.1865		1.8134	1.8134	2.9759	2.9759
H4	1.1054	2.1721	1.8134		1.8215	3.3084	2.5778
H5	1.1054	2.1721	1.8134	1.8215		2.5778	3.3084
O6	2.4647	1.3273	2.9759	3.3084	2.5778		2.3610
O7	2.4647	1.3273	2.9759	2.5778	3.3084	2.3610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.198	C1	N2	O7	117.198
N2	C1	H3	109.201	N2	C1	H4	108.148
N2	C1	H5	108.148	H3	C1	H4	110.159
H3	C1	H5	110.159	H4	C1	H5	110.962
O6	N2	O7	125.598

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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