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	hartrees
Energy at 0K	-244.529562
Energy at 298.15K
HF Energy	-243.743211
Nuclear repulsion energy	124.174227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3196	3078
2	A'	3094	2980
3	A'	1493	1438
4	A'	1443	1390
5	A'	1385	1334
6	A'	1152	1109
7	A'	922	888
8	A'	660	636
9	A'	587	565
10	A"	3222	3103
11	A"	1586	1528
12	A"	1487	1432
13	A"	1126	1085
14	A"	478	461
15	A"	47	46

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.331	0.000
N2	-0.013	0.172	0.000
H3	1.049	-1.634	0.000
H4	-0.497	-1.667	0.905
H5	-0.497	-1.667	-0.905
O6	0.002	0.734	-1.095
O7	0.002	0.734	1.095

	C1	N2	H3	H4	H5	O6	O7
C1		1.5026	1.0901	1.0868	1.0868	2.3377	2.3377
N2	1.5026		2.0945	2.1056	2.1056	1.2313	1.2313
H3	1.0901	2.0945		1.7921	1.7921	2.8113	2.8113
H4	1.0868	2.1056	1.7921		1.8102	3.1648	2.4600
H5	1.0868	2.1056	1.7921	1.8102		2.4600	3.1648
O6	2.3377	1.2313	2.8113	3.1648	2.4600		2.1900
O7	2.3377	1.2313	2.8113	2.4600	3.1648	2.1900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.193	C1	N2	O7	117.193
N2	C1	H3	106.690	N2	C1	H4	107.724
N2	C1	H5	107.724	H3	C1	H4	110.822
H3	C1	H5	110.822	H4	C1	H5	112.772
O6	N2	O7	125.574

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

using model chemistry: QCISD(T)/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: QCISD(T)/TZVP

States and conformations

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