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	hartrees
Energy at 0K	-48.876773
Energy at 298.15K
HF Energy	-48.183413
Nuclear repulsion energy	68.989434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3081	3.26
2	A'	3114	2967	2.88
3	A'	1510	1438	11.54
4	A'	1452	1384	1.46
5	A'	1410	1344	47.42
6	A'	1158	1103	0.07
7	A'	924	880	3.20
8	A'	655	624	26.84
9	A'	584	557	3.02
10	A"	3261	3107	0.60
11	A"	1772	1688	106.58
12	A"	1508	1437	20.11
13	A"	1141	1087	3.66
14	A"	473	451	0.67
15	A"	50	48	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.336	0.000
N2	-0.014	0.164	0.000
H3	1.051	-1.640	0.000
H4	-0.497	-1.670	0.908
H5	-0.497	-1.670	-0.908
O6	0.002	0.741	-1.114
O7	0.002	0.741	1.114

	C1	N2	H3	H4	H5	O6	O7
C1		1.5000	1.0917	1.0884	1.0884	2.3569	2.3569
N2	1.5000		2.0945	2.1024	2.1024	1.2546	1.2546
H3	1.0917	2.0945		1.7945	1.7945	2.8298	2.8298
H4	1.0884	2.1024	1.7945		1.8155	3.1858	2.4708
H5	1.0884	2.1024	1.7945	1.8155		2.4708	3.1858
O6	2.3569	1.2546	2.8298	3.1858	2.4708		2.2276
O7	2.3569	1.2546	2.8298	2.4708	3.1858	2.2276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.383	C1	N2	O7	117.383
N2	C1	H3	106.775	N2	C1	H4	107.565
N2	C1	H5	107.565	H3	C1	H4	110.803
H3	C1	H5	110.803	H4	C1	H5	113.025
O6	N2	O7	125.187

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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