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	hartrees
Energy at 0K	-244.611319
Energy at 298.15K
HF Energy	-243.759585
Nuclear repulsion energy	126.207215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3049	1.35
2	A'	3131	2958	0.86
3	A'	1536	1451	72.57
4	A'	1503	1420	17.28
5	A'	1440	1360	2.44
6	A'	1168	1104	1.02
7	A'	992	937	7.52
8	A'	703	664	29.27
9	A'	640	605	5.54
10	A"	3259	3079	0.13
11	A"	1790	1691	382.01
12	A"	1494	1412	29.68
13	A"	1138	1075	13.13
14	A"	497	469	1.04
15	A"	29	27	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.310	0.000
N2	-0.010	0.173	0.000
H3	1.041	-1.617	0.000
H4	-0.493	-1.648	0.901
H5	-0.493	-1.648	-0.901
O6	0.001	0.723	-1.074
O7	0.001	0.723	1.074

	C1	N2	H3	H4	H5	O6	O7
C1		1.4829	1.0852	1.0815	1.0815	2.2992	2.2992
N2	1.4829		2.0760	2.0880	2.0880	1.2071	1.2071
H3	1.0852	2.0760		1.7794	1.7794	2.7773	2.7773
H4	1.0815	2.0880	1.7794		1.8027	3.1251	2.4274
H5	1.0815	2.0880	1.7794	1.8027		2.4274	3.1251
O6	2.2992	1.2071	2.7773	3.1251	2.4274		2.1490
O7	2.2992	1.2071	2.7773	2.4274	3.1251	2.1490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.096	C1	N2	O7	117.096
N2	C1	H3	106.858	N2	C1	H4	107.998
N2	C1	H5	107.998	H3	C1	H4	110.421
H3	C1	H5	110.421	H4	C1	H5	112.901
O6	N2	O7	125.787

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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