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	hartrees
Energy at 0K	-244.712319
Energy at 298.15K
HF Energy	-243.754360
Nuclear repulsion energy	125.232345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3053	1.13
2	A'	3133	2953	1.40
3	A'	1503	1417	12.76
4	A'	1441	1358	15.13
5	A'	1430	1348	39.31
6	A'	1153	1087	0.21
7	A'	955	901	4.63
8	A'	682	643	22.41
9	A'	615	579	2.82
10	A"	3266	3079	0.07
11	A"	1767	1666	174.84
12	A"	1497	1411	25.29
13	A"	1135	1070	3.16
14	A"	488	460	0.84
15	A"	33i	31i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.312	0.000
N2	-0.011	0.167	0.000
H3	1.041	-1.618	0.000
H4	-0.491	-1.653	0.901
H5	-0.491	-1.653	-0.901
O6	0.001	0.726	-1.088
O7	0.001	0.726	1.088

	C1	N2	H3	H4	H5	O6	O7
C1		1.4796	1.0846	1.0814	1.0814	2.3110	2.3110
N2	1.4796		2.0722	2.0867	2.0867	1.2237	1.2237
H3	1.0846	2.0722		1.7781	1.7781	2.7861	2.7861
H4	1.0814	2.0867	1.7781		1.8016	3.1399	2.4366
H5	1.0814	2.0867	1.7781	1.8016		2.4366	3.1399
O6	2.3110	1.2237	2.7861	3.1399	2.4366		2.1769
O7	2.3110	1.2237	2.7861	2.4366	3.1399	2.1769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.177	C1	N2	O7	117.177
N2	C1	H3	106.814	N2	C1	H4	108.129
N2	C1	H5	108.129	H3	C1	H4	110.356
H3	C1	H5	110.356	H4	C1	H5	112.823
O6	N2	O7	125.621

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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