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	hartrees
Energy at 0K	-244.362162
Energy at 298.15K
HF Energy	-243.663832
Nuclear repulsion energy	125.352583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3295	1.60
2	A'	3189	3189	1.20
3	A'	1550	1550	24.27
4	A'	1536	1536	59.81
5	A'	1481	1481	1.89
6	A'	1187	1187	0.74
7	A'	990	990	6.08
8	A'	697	697	32.39
9	A'	628	628	6.92
10	A"	3324	3324	0.40
11	A"	1824	1824	297.96
12	A"	1537	1537	24.85
13	A"	1163	1163	12.82
14	A"	498	498	0.79
15	A"	35	35	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.314	0.000
N2	-0.013	0.169	0.000
H3	1.042	-1.620	0.000
H4	-0.494	-1.649	0.900
H5	-0.494	-1.649	-0.900
O6	0.002	0.726	-1.086
O7	0.002	0.726	1.086

	C1	N2	H3	H4	H5	O6	O7
C1		1.4829	1.0842	1.0809	1.0809	2.3112	2.3112
N2	1.4829		2.0770	2.0849	2.0849	1.2208	1.2208
H3	1.0842	2.0770		1.7804	1.7804	2.7870	2.7870
H4	1.0809	2.0849	1.7804		1.8000	3.1358	2.4337
H5	1.0809	2.0849	1.7804	1.8000		2.4337	3.1358
O6	2.3112	1.2208	2.7870	3.1358	2.4337		2.1722
O7	2.3112	1.2208	2.7870	2.4337	3.1358	2.1722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.153	C1	N2	O7	117.153
N2	C1	H3	106.987	N2	C1	H4	107.791
N2	C1	H5	107.791	H3	C1	H4	110.635
H3	C1	H5	110.635	H4	C1	H5	112.749
O6	N2	O7	125.654

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

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

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