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	hartrees
Energy at 0K	-244.750951
Energy at 298.15K
HF Energy	-243.767183
Nuclear repulsion energy	124.946433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3187	3187
2	A'	3091	3091
3	A'	1491	1491
4	A'	1428	1428
5	A'	1410	1410
6	A'	1147	1147
7	A'	931	931
8	A'	668	668
9	A'	605	605
10	A"	3214	3214
11	A"	1612	1612
12	A"	1477	1477
13	A"	1111	1111
14	A"	470	470
15	A"	33	33

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.320	0.000
N2	-0.010	0.172	0.000
H3	1.043	-1.625	0.000
H4	-0.494	-1.655	0.902
H5	-0.494	-1.655	-0.902
O6	0.001	0.728	-1.090
O7	0.001	0.728	1.090

	C1	N2	H3	H4	H5	O6	O7
C1		1.4917	1.0857	1.0826	1.0826	2.3199	2.3199
N2	1.4917		2.0824	2.0945	2.0945	1.2238	1.2238
H3	1.0857	2.0824		1.7827	1.7827	2.7945	2.7945
H4	1.0826	2.0945	1.7827		1.8047	3.1456	2.4415
H5	1.0826	2.0945	1.7827	1.8047		2.4415	3.1456
O6	2.3199	1.2238	2.7945	3.1456	2.4415		2.1799
O7	2.3199	1.2238	2.7945	2.4415	3.1456	2.1799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.032	C1	N2	O7	117.032
N2	C1	H3	106.730	N2	C1	H4	107.846
N2	C1	H5	107.846	H3	C1	H4	110.609
H3	C1	H5	110.609	H4	C1	H5	112.929
O6	N2	O7	125.914

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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)=FULL/Def2TZVPP

States and conformations

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