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	hartrees
Energy at 0K	-244.620229
Energy at 298.15K
HF Energy	-243.771009
Nuclear repulsion energy	126.241676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3230	1.25
2	A'	3134	3134	0.84
3	A'	1533	1533	68.94
4	A'	1503	1503	18.47
5	A'	1449	1449	2.79
6	A'	1171	1171	0.84
7	A'	992	992	7.11
8	A'	702	702	28.77
9	A'	638	638	5.46
10	A"	3260	3260	0.08
11	A"	1777	1777	408.97
12	A"	1494	1494	31.07
13	A"	1140	1140	14.12
14	A"	495	495	1.18
15	A"	34	34	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.311	0.000
N2	-0.010	0.173	0.000
H3	1.042	-1.616	0.000
H4	-0.492	-1.648	0.901
H5	-0.492	-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		1.4834	1.0850	1.0814	1.0814	2.2995	2.2995
N2	1.4834		2.0747	2.0884	2.0884	1.2064	1.2064
H3	1.0850	2.0747		1.7796	1.7796	2.7759	2.7759
H4	1.0814	2.0884	1.7796		1.8028	3.1251	2.4280
H5	1.0814	2.0884	1.7796	1.8028		2.4280	3.1251
O6	2.2995	1.2064	2.7759	3.1251	2.4280		2.1472
O7	2.2995	1.2064	2.7759	2.4280	3.1251	2.1472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.126	C1	N2	O7	117.126
N2	C1	H3	106.727	N2	C1	H4	108.002
N2	C1	H5	108.002	H3	C1	H4	110.461
H3	C1	H5	110.461	H4	C1	H5	112.931
O6	N2	O7	125.729

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

using model chemistry: MP3/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: MP3/Def2TZVPP

States and conformations

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