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	hartrees
Energy at 0K	-244.539450
Energy at 298.15K
HF Energy	-243.722750
Nuclear repulsion energy	124.724529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3072	2.00
2	A'	3129	2968	1.74
3	A'	1503	1425	11.48
4	A'	1441	1367	4.33
5	A'	1434	1360	66.28
6	A'	1154	1095	0.17
7	A'	956	907	8.97
8	A'	686	651	25.16
9	A'	609	577	3.84
10	A"	3263	3095	0.23
11	A"	1810	1717	109.06
12	A"	1491	1415	18.46
13	A"	1135	1077	3.22
14	A"	490	465	0.43
15	A"	36	34	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.318	0.000
N2	-0.014	0.171	0.000
H3	1.047	-1.625	0.000
H4	-0.496	-1.658	0.904
H5	-0.496	-1.658	-0.904
O6	0.002	0.728	-1.093
O7	0.002	0.728	1.093

	C1	N2	H3	H4	H5	O6	O7
C1		1.4890	1.0896	1.0867	1.0867	2.3200	2.3200
N2	1.4890		2.0864	2.0965	2.0965	1.2274	1.2274
H3	1.0896	2.0864		1.7887	1.7887	2.7976	2.7976
H4	1.0867	2.0965	1.7887		1.8085	3.1517	2.4451
H5	1.0867	2.0965	1.7887	1.8085		2.4451	3.1517
O6	2.3200	1.2274	2.7976	3.1517	2.4451		2.1869
O7	2.3200	1.2274	2.7976	2.4451	3.1517	2.1869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.991	C1	N2	O7	116.991
N2	C1	H3	106.997	N2	C1	H4	107.944
N2	C1	H5	107.944	H3	C1	H4	110.550
H3	C1	H5	110.550	H4	C1	H5	112.626
O6	N2	O7	125.971

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

using model chemistry: MP2=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: MP2=FULL/6-311G**

States and conformations

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