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	hartrees
Energy at 0K	-244.479373
Energy at 298.15K
HF Energy	-243.717933
Nuclear repulsion energy	124.528851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3176	3057
2	A'	3076	2961
3	A'	1497	1441
4	A'	1441	1387
5	A'	1423	1369
6	A'	1154	1111
7	A'	938	903
8	A'	675	650
9	A'	603	580
10	A"	3203	3084
11	A"	1660	1598
12	A"	1489	1433
13	A"	1128	1086
14	A"	486	468
15	A"	63	61

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.325	0.000
N2	-0.014	0.174	0.000
H3	1.053	-1.629	0.000
H4	-0.498	-1.663	0.908
H5	-0.498	-1.663	-0.908
O6	0.002	0.731	-1.092
O7	0.002	0.731	1.092

	C1	N2	H3	H4	H5	O6	O7
C1		1.4987	1.0937	1.0903	1.0903	2.3280	2.3280
N2	1.4987		2.0945	2.1054	2.1054	1.2263	1.2263
H3	1.0937	2.0945		1.7972	1.7972	2.8045	2.8045
H4	1.0903	2.1054	1.7972		1.8158	3.1595	2.4527
H5	1.0903	2.1054	1.7972	1.8158		2.4527	3.1595
O6	2.3280	1.2263	2.8045	3.1595	2.4527		2.1847
O7	2.3280	1.2263	2.8045	2.4527	3.1595	2.1847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.012	C1	N2	O7	117.012
N2	C1	H3	106.747	N2	C1	H4	107.781
N2	C1	H5	107.781	H3	C1	H4	110.748
H3	C1	H5	110.748	H4	C1	H5	112.761
O6	N2	O7	125.931

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

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

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