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	hartrees
Energy at 0K	-244.629311
Energy at 298.15K	-244.634063
HF Energy	-243.766486
Nuclear repulsion energy	124.912605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3074	1.22
2	A'	3125	2974	1.36
3	A'	1499	1426	11.25
4	A'	1432	1363	2.60
5	A'	1418	1349	57.43
6	A'	1151	1095	0.21
7	A'	947	901	6.16
8	A'	676	643	24.14
9	A'	607	577	3.24
10	A"	3258	3100	0.00
11	A"	1762	1676	148.57
12	A"	1488	1416	22.34
13	A"	1125	1071	3.34
14	A"	481	457	0.65
15	A"	35	34	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.022	-1.309	0.000
N2	-0.096	0.177	0.000
H3	1.082	-1.546	0.000
H4	-0.445	-1.683	0.901
H5	-0.445	-1.683	-0.901
O6	0.022	0.720	-1.085
O7	0.022	0.720	1.085

	C1	N2	H3	H4	H5	O6	O7
C1		1.4910	1.0856	1.0820	1.0820	2.3008	2.3008
N2	1.4910		2.0871	2.0962	2.0962	1.2186	1.2186
H3	1.0856	2.0871		1.7784	1.7784	2.7262	2.7262
H4	1.0820	2.0962	1.7784		1.8028	3.1522	2.4548
H5	1.0820	2.0962	1.7784	1.8028		2.4548	3.1522
O6	2.3008	1.2186	2.7262	3.1522	2.4548		2.1693
O7	2.3008	1.2186	2.7262	2.4548	3.1522	2.1693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	115.868	C1	N2	O7	115.868
N2	C1	H3	107.143	N2	C1	H4	108.064
N2	C1	H5	108.064	H3	C1	H4	110.259
H3	C1	H5	110.259	H4	C1	H5	112.841
O6	N2	O7	125.755

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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