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	hartrees
Energy at 0K	-244.481018
Energy at 298.15K
HF Energy	-243.717612
Nuclear repulsion energy	124.442877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3174	3056
2	A'	3074	2959
3	A'	1496	1440
4	A'	1438	1385
5	A'	1416	1363
6	A'	1151	1108
7	A'	934	899
8	A'	672	647
9	A'	600	577
10	A"	3201	3082
11	A"	1644	1583
12	A"	1488	1433
13	A"	1126	1084
14	A"	485	467
15	A"	48	47

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.326	0.000
N2	-0.014	0.174	0.000
H3	1.053	-1.629	0.000
H4	-0.498	-1.664	0.908
H5	-0.498	-1.664	-0.908
O6	0.002	0.731	-1.093
O7	0.002	0.731	1.093

	C1	N2	H3	H4	H5	O6	O7
C1		1.4996	1.0938	1.0904	1.0904	2.3294	2.3294
N2	1.4996		2.0952	2.1064	2.1064	1.2274	1.2274
H3	1.0938	2.0952		1.7974	1.7974	2.8057	2.8057
H4	1.0904	2.1064	1.7974		1.8160	3.1612	2.4540
H5	1.0904	2.1064	1.7974	1.8160		2.4540	3.1612
O6	2.3294	1.2274	2.8057	3.1612	2.4540		2.1868
O7	2.3294	1.2274	2.8057	2.4540	3.1612	2.1868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.996	C1	N2	O7	116.996
N2	C1	H3	106.734	N2	C1	H4	107.785
N2	C1	H5	107.785	H3	C1	H4	110.750
H3	C1	H5	110.750	H4	C1	H5	112.761
O6	N2	O7	125.962

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

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

States and conformations

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