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	hartrees
Energy at 0K	-244.757796
Energy at 298.15K
HF Energy	-243.754886
Nuclear repulsion energy	125.172274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3196	3196
2	A'	3099	3099
3	A'	1492	1492
4	A'	1441	1441
5	A'	1425	1425
6	A'	1149	1149
7	A'	944	944
8	A'	675	675
9	A'	614	614
10	A"	3223	3223
11	A"	1642	1642
12	A"	1485	1485
13	A"	1123	1123
14	A"	483	483
15	A"	32i	32i

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.318	0.000
N2	-0.010	0.171	0.000
H3	1.044	-1.623	0.000
H4	-0.494	-1.656	0.904
H5	-0.494	-1.656	-0.904
O6	0.001	0.728	-1.086
O7	0.001	0.728	1.086

	C1	N2	H3	H4	H5	O6	O7
C1		1.4888	1.0874	1.0842	1.0842	2.3160	2.3160
N2	1.4888		2.0807	2.0946	2.0946	1.2208	1.2208
H3	1.0874	2.0807		1.7845	1.7845	2.7919	2.7919
H4	1.0842	2.0946	1.7845		1.8071	3.1440	2.4409
H5	1.0842	2.0946	1.7845	1.8071		2.4409	3.1440
O6	2.3160	1.2208	2.7919	3.1440	2.4409		2.1730
O7	2.3160	1.2208	2.7919	2.4409	3.1440	2.1730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.119	C1	N2	O7	117.119
N2	C1	H3	106.703	N2	C1	H4	107.966
N2	C1	H5	107.966	H3	C1	H4	110.524
H3	C1	H5	110.524	H4	C1	H5	112.898
O6	N2	O7	125.742

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

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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)=FULL/6-311+G(3df,2p)

States and conformations

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