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	hartrees
Energy at 0K	-244.698006
Energy at 298.15K
HF Energy	-243.771219
Nuclear repulsion energy	126.388965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3229	1.18
2	A'	3134	3134	0.76
3	A'	1535	1535	68.15
4	A'	1506	1506	19.54
5	A'	1453	1453	3.01
6	A'	1174	1174	0.93
7	A'	995	995	6.97
8	A'	704	704	28.86
9	A'	640	640	5.49
10	A"	3259	3259	0.05
11	A"	1777	1777	410.26
12	A"	1497	1497	31.94
13	A"	1142	1142	14.08
14	A"	498	498	1.18
15	A"	19	19	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.309	0.000
N2	-0.010	0.172	0.000
H3	1.040	-1.613	0.000
H4	-0.491	-1.645	0.900
H5	-0.491	-1.645	-0.900
O6	0.001	0.722	-1.073
O7	0.001	0.722	1.073

	C1	N2	H3	H4	H5	O6	O7
C1		1.4810	1.0828	1.0793	1.0793	2.2966	2.2966
N2	1.4810		2.0708	2.0845	2.0845	1.2055	1.2055
H3	1.0828	2.0708		1.7761	1.7761	2.7717	2.7717
H4	1.0793	2.0845	1.7761		1.7995	3.1205	2.4241
H5	1.0793	2.0845	1.7761	1.7995		2.4241	3.1205
O6	2.2966	1.2055	2.7717	3.1205	2.4241		2.1456
O7	2.2966	1.2055	2.7717	2.4241	3.1205	2.1456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.124	C1	N2	O7	117.124
N2	C1	H3	106.719	N2	C1	H4	107.990
N2	C1	H5	107.990	H3	C1	H4	110.464
H3	C1	H5	110.464	H4	C1	H5	112.955
O6	N2	O7	125.732

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

using model chemistry: MP3=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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