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	hartrees
Energy at 0K	-244.387309
Energy at 298.15K
HF Energy	-243.680090
Nuclear repulsion energy	124.897734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3052	1.83
2	A'	3113	2949	2.06
3	A'	1490	1412	63.19
4	A'	1477	1400	33.74
5	A'	1415	1340	1.31
6	A'	1142	1081	0.75
7	A'	964	913	9.41
8	A'	689	653	28.50
9	A'	619	587	6.58
10	A"	3249	3078	0.40
11	A"	1729	1637	281.23
12	A"	1468	1391	26.74
13	A"	1115	1056	12.41
14	A"	489	463	0.55
15	A"	15	15	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.320	0.000
N2	-0.012	0.176	0.000
H3	1.058	-1.629	0.000
H4	-0.500	-1.663	0.914
H5	-0.500	-1.663	-0.914
O6	0.001	0.728	-1.088
O7	0.001	0.728	1.088

	C1	N2	H3	H4	H5	O6	O7
C1		1.4966	1.1009	1.0975	1.0975	2.3187	2.3187
N2	1.4966		2.0988	2.1111	2.1111	1.2197	1.2197
H3	1.1009	2.0988		1.8069	1.8069	2.8023	2.8023
H4	1.0975	2.1111	1.8069		1.8279	3.1581	2.4487
H5	1.0975	2.1111	1.8069	1.8279		2.4487	3.1581
O6	2.3187	1.2197	2.8023	3.1581	2.4487		2.1759
O7	2.3187	1.2197	2.8023	2.4487	3.1581	2.1759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.853	C1	N2	O7	116.853
N2	C1	H3	106.816	N2	C1	H4	107.947
N2	C1	H5	107.947	H3	C1	H4	110.557
H3	C1	H5	110.557	H4	C1	H5	112.768
O6	N2	O7	126.260

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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