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	hartrees
Energy at 0K	-244.831508
Energy at 298.15K
HF Energy	-243.776809
Nuclear repulsion energy	125.320892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3097	1.12
2	A'	3129	2992	1.20
3	A'	1503	1437	12.50
4	A'	1437	1374	10.78
5	A'	1426	1364	43.90
6	A'	1152	1102	0.21
7	A'	952	911	4.64
8	A'	681	651	22.52
9	A'	612	585	2.98
10	A"	3265	3123	0.12
11	A"	1756	1679	174.52
12	A"	1495	1429	25.80
13	A"	1131	1082	3.34
14	A"	487	465	0.88
15	A"	7i	7i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.311	0.000
N2	-0.011	0.166	0.000
H3	1.040	-1.616	0.000
H4	-0.491	-1.649	0.900
H5	-0.491	-1.649	-0.900
O6	0.001	0.726	-1.088
O7	0.001	0.726	1.088

	C1	N2	H3	H4	H5	O6	O7
C1		1.4778	1.0828	1.0796	1.0796	2.3098	2.3098
N2	1.4778		2.0684	2.0824	2.0824	1.2234	1.2234
H3	1.0828	2.0684		1.7761	1.7761	2.7833	2.7833
H4	1.0796	2.0824	1.7761		1.7997	3.1361	2.4331
H5	1.0796	2.0824	1.7761	1.7997		2.4331	3.1361
O6	2.3098	1.2234	2.7833	3.1361	2.4331		2.1754
O7	2.3098	1.2234	2.7833	2.4331	3.1361	2.1754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.234	C1	N2	O7	117.234
N2	C1	H3	106.749	N2	C1	H4	108.023
N2	C1	H5	108.023	H3	C1	H4	110.438
H3	C1	H5	110.438	H4	C1	H5	112.920
O6	N2	O7	125.509

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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=FULL/aug-cc-pVQZ

States and conformations

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