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	hartrees
Energy at 0K	-244.285087
Energy at 298.15K
HF Energy	-243.683529
Nuclear repulsion energy	126.305643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3059	1.18
2	A'	3200	2957	1.10
3	A'	1593	1472	100.55
4	A'	1523	1407	12.76
5	A'	1465	1353	0.77
6	A'	1186	1096	1.62
7	A'	1018	940	8.95
8	A'	722	668	34.05
9	A'	655	605	8.72
10	A"	3340	3087	0.11
11	A"	1853	1712	384.83
12	A"	1509	1394	27.90
13	A"	1158	1070	13.35
14	A"	510	471	0.74
15	A"	3i	3i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.308	0.000
N2	-0.012	0.176	0.000
H3	1.051	-1.614	0.000
H4	-0.495	-1.650	0.908
H5	-0.495	-1.650	-0.908
O6	0.001	0.721	-1.073
O7	0.001	0.721	1.073

	C1	N2	H3	H4	H5	O6	O7
C1		1.4839	1.0931	1.0895	1.0895	2.2954	2.2954
N2	1.4839		2.0810	2.0953	2.0953	1.2037	1.2037
H3	1.0931	2.0810		1.7932	1.7932	2.7756	2.7756
H4	1.0895	2.0953	1.7932		1.8152	3.1290	2.4281
H5	1.0895	2.0953	1.7932	1.8152		2.4281	3.1290
O6	2.2954	1.2037	2.7756	3.1290	2.4281		2.1458
O7	2.2954	1.2037	2.7756	2.4281	3.1290	2.1458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.939	C1	N2	O7	116.939
N2	C1	H3	106.731	N2	C1	H4	108.040
N2	C1	H5	108.040	H3	C1	H4	110.480
H3	C1	H5	110.480	H4	C1	H5	112.822
O6	N2	O7	126.092

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

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

States and conformations

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