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	hartrees
Energy at 0K	-244.415802
Energy at 298.15K
HF Energy	-243.677118
Nuclear repulsion energy	124.110925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3202	3052
2	A'	3092	2947
3	A'	1471	1402
4	A'	1418	1352
5	A'	1396	1330
6	A'	1124	1072
7	A'	931	887
8	A'	669	638
9	A'	598	570
10	A"	3227	3076
11	A"	1655	1577
12	A"	1458	1390
13	A"	1098	1046
14	A"	477	455
15	A"	44	41

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.326	0.000
N2	-0.013	0.176	0.000
H3	1.060	-1.636	0.000
H4	-0.502	-1.668	0.915
H5	-0.502	-1.668	-0.915
O6	0.002	0.731	-1.098
O7	0.002	0.731	1.098

	C1	N2	H3	H4	H5	O6	O7
C1		1.5018	1.1025	1.0994	1.0994	2.3314	2.3314
N2	1.5018		2.1051	2.1161	2.1161	1.2301	1.2301
H3	1.1025	2.1051		1.8105	1.8105	2.8153	2.8153
H4	1.0994	2.1161	1.8105		1.8309	3.1720	2.4582
H5	1.0994	2.1161	1.8105	1.8309		2.4582	3.1720
O6	2.3314	1.2301	2.8153	3.1720	2.4582		2.1951
O7	2.3314	1.2301	2.8153	2.4582	3.1720	2.1951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.821	C1	N2	O7	116.821
N2	C1	H3	106.862	N2	C1	H4	107.875
N2	C1	H5	107.875	H3	C1	H4	110.616
H3	C1	H5	110.616	H4	C1	H5	112.744
O6	N2	O7	126.324

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

using model chemistry: QCISD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

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