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	hartrees
Energy at 0K	-244.531907
Energy at 298.15K
HF Energy	-243.727064
Nuclear repulsion energy	125.983230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3237	2.05
2	A'	3138	3138	1.07
3	A'	1543	1543	83.67
4	A'	1507	1507	14.53
5	A'	1457	1457	3.38
6	A'	1171	1171	0.70
7	A'	1000	1000	9.63
8	A'	709	709	30.31
9	A'	634	634	6.52
10	A"	3265	3265	0.43
11	A"	1824	1824	354.52
12	A"	1496	1496	24.37
13	A"	1147	1147	13.67
14	A"	504	504	0.80
15	A"	33	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.313	0.000
N2	-0.013	0.174	0.000
H3	1.048	-1.619	0.000
H4	-0.495	-1.653	0.905
H5	-0.495	-1.653	-0.905
O6	0.002	0.724	-1.076
O7	0.002	0.724	1.076

	C1	N2	H3	H4	H5	O6	O7
C1		1.4877	1.0898	1.0864	1.0864	2.3037	2.3037
N2	1.4877		2.0835	2.0948	2.0948	1.2079	1.2079
H3	1.0898	2.0835		1.7890	1.7890	2.7819	2.7819
H4	1.0864	2.0948	1.7890		1.8093	3.1330	2.4339
H5	1.0864	2.0948	1.7890	1.8093		2.4339	3.1330
O6	2.3037	1.2079	2.7819	3.1330	2.4339		2.1511
O7	2.3037	1.2079	2.7819	2.4339	3.1330	2.1511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.055	C1	N2	O7	117.055
N2	C1	H3	106.846	N2	C1	H4	107.917
N2	C1	H5	107.917	H3	C1	H4	110.583
H3	C1	H5	110.583	H4	C1	H5	112.746
O6	N2	O7	125.850

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

using model chemistry: MP3=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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