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	hartrees
Energy at 0K	-244.611531
Energy at 298.15K
HF Energy	-243.759136
Nuclear repulsion energy	125.995747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	2999	1.56
2	A'	3115	2909	1.22
3	A'	1523	1422	66.06
4	A'	1501	1402	22.41
5	A'	1439	1344	1.81
6	A'	1168	1090	0.87
7	A'	983	918	6.99
8	A'	699	653	28.78
9	A'	639	596	5.84
10	A"	3242	3027	0.18
11	A"	1772	1654	376.58
12	A"	1493	1394	30.06
13	A"	1136	1061	13.53
14	A"	495	462	0.98
15	A"	24	23	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.312	0.000
N2	-0.010	0.173	0.000
H3	1.043	-1.618	0.000
H4	-0.493	-1.650	0.902
H5	-0.493	-1.650	-0.902
O6	0.001	0.723	-1.077
O7	0.001	0.723	1.077

	C1	N2	H3	H4	H5	O6	O7
C1		1.4849	1.0862	1.0827	1.0827	2.3024	2.3024
N2	1.4849		2.0779	2.0905	2.0905	1.2094	1.2094
H3	1.0862	2.0779		1.7817	1.7817	2.7800	2.7800
H4	1.0827	2.0905	1.7817		1.8044	3.1292	2.4300
H5	1.0827	2.0905	1.7817	1.8044		2.4300	3.1292
O6	2.3024	1.2094	2.7800	3.1292	2.4300		2.1541
O7	2.3024	1.2094	2.7800	2.4300	3.1292	2.1541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.047	C1	N2	O7	117.047
N2	C1	H3	106.806	N2	C1	H4	107.987
N2	C1	H5	107.987	H3	C1	H4	110.464
H3	C1	H5	110.464	H4	C1	H5	112.883
O6	N2	O7	125.886

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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