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	hartrees
Energy at 0K	-244.620896
Energy at 298.15K
HF Energy	-243.758342
Nuclear repulsion energy	125.676978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3019	1.68
2	A'	3112	2929	1.45
3	A'	1504	1416	17.64
4	A'	1486	1399	69.34
5	A'	1433	1349	2.36
6	A'	1163	1095	0.73
7	A'	967	910	6.36
8	A'	690	649	27.66
9	A'	631	594	5.83
10	A"	3238	3047	0.25
11	A"	1700	1600	345.73
12	A"	1490	1402	35.73
13	A"	1130	1063	15.55
14	A"	490	461	0.90
15	A"	11i	10i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.027	-1.305	0.000
N2	-0.117	0.179	0.000
H3	1.092	-1.524	0.000
H4	-0.435	-1.686	0.902
H5	-0.435	-1.686	-0.902
O6	0.027	0.717	-1.074
O7	0.027	0.717	1.074

	C1	N2	H3	H4	H5	O6	O7
C1		1.4908	1.0867	1.0827	1.0827	2.2897	2.2897
N2	1.4908		2.0881	2.0953	2.0953	1.2099	1.2099
H3	1.0867	2.0881		1.7806	1.7806	2.7035	2.7035
H4	1.0827	2.0953	1.7806		1.8044	3.1450	2.4527
H5	1.0827	2.0953	1.7806	1.8044		2.4527	3.1450
O6	2.2897	1.2099	2.7035	3.1450	2.4527		2.1475
O7	2.2897	1.2099	2.7035	2.4527	3.1450	2.1475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	115.560	C1	N2	O7	115.560
N2	C1	H3	107.170	N2	C1	H4	107.961
N2	C1	H5	107.961	H3	C1	H4	110.326
H3	C1	H5	110.326	H4	C1	H5	112.876
O6	N2	O7	125.127

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

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

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