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	hartrees
Energy at 0K	-244.527783
Energy at 298.15K
HF Energy	-243.743567
Nuclear repulsion energy	124.268753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3197	3077
2	A'	3095	2979
3	A'	1494	1438
4	A'	1445	1390
5	A'	1392	1340
6	A'	1153	1110
7	A'	926	892
8	A'	663	638
9	A'	589	567
10	A"	3223	3103
11	A"	1604	1543
12	A"	1488	1432
13	A"	1130	1088
14	A"	480	462
15	A"	29	28

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.330	0.000
N2	-0.013	0.171	0.000
H3	1.049	-1.633	0.000
H4	-0.497	-1.666	0.905
H5	-0.497	-1.666	-0.905
O6	0.002	0.734	-1.094
O7	0.002	0.734	1.094

	C1	N2	H3	H4	H5	O6	O7
C1		1.5017	1.0900	1.0867	1.0867	2.3361	2.3361
N2	1.5017		2.0938	2.1046	2.1046	1.2301	1.2301
H3	1.0900	2.0938		1.7919	1.7919	2.8099	2.8099
H4	1.0867	2.1046	1.7919		1.8100	3.1630	2.4586
H5	1.0867	2.1046	1.7919	1.8100		2.4586	3.1630
O6	2.3361	1.2301	2.8099	3.1630	2.4586		2.1877
O7	2.3361	1.2301	2.8099	2.4586	3.1630	2.1877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.206	C1	N2	O7	117.206
N2	C1	H3	106.702	N2	C1	H4	107.719
N2	C1	H5	107.719	H3	C1	H4	110.819
H3	C1	H5	110.819	H4	C1	H5	112.775
O6	N2	O7	125.548

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

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

States and conformations

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