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	hartrees
Energy at 0K	-244.622143
Energy at 298.15K
HF Energy	-244.443268
Nuclear repulsion energy	121.707315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3225	1.91
2	A'	3120	3120	1.02
3	A'	1536	1536	16.37
4	A'	1473	1473	1.23
5	A'	1284	1284	55.82
6	A'	1174	1174	0.27
7	A'	866	866	2.75
8	A'	636	636	25.49
9	A'	575	575	3.40
10	A"	3255	3255	0.16
11	A"	1548	1548	0.69
12	A"	1476	1476	121.00
13	A"	1135	1135	11.69
14	A"	469	469	0.41
15	A"	38	38	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.340	0.000
N2	-0.013	0.160	0.000
H3	1.045	-1.660	0.000
H4	-0.502	-1.674	0.904
H5	-0.502	-1.674	-0.904
O6	0.002	0.745	-1.130
O7	0.002	0.745	1.130

	C1	N2	H3	H4	H5	O6	O7
C1		1.5009	1.0908	1.0869	1.0869	2.3725	2.3725
N2	1.5009		2.1053	2.1022	2.1022	1.2729	1.2729
H3	1.0908	2.1053		1.7916	1.7916	2.8549	2.8549
H4	1.0869	2.1022	1.7916		1.8072	3.2005	2.4815
H5	1.0869	2.1022	1.7916	1.8072		2.4815	3.2005
O6	2.3725	1.2729	2.8549	3.2005	2.4815		2.2606
O7	2.3725	1.2729	2.8549	2.4815	3.2005	2.2606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.358	C1	N2	O7	117.358
N2	C1	H3	107.593	N2	C1	H4	107.572
N2	C1	H5	107.572	H3	C1	H4	110.706
H3	C1	H5	110.706	H4	C1	H5	112.469
O6	N2	O7	125.245

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G

States and conformations

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