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	hartrees
Energy at 0K	-244.621605
Energy at 298.15K
HF Energy	-243.753608
Nuclear repulsion energy	124.965471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3044	1.16
2	A'	3120	2943	1.54
3	A'	1500	1415	12.41
4	A'	1435	1354	8.56
5	A'	1424	1343	44.91
6	A'	1150	1085	0.16
7	A'	949	896	4.52
8	A'	678	640	22.39
9	A'	609	575	2.72
10	A"	3254	3070	0.04
11	A"	1760	1660	170.45
12	A"	1494	1409	24.72
13	A"	1131	1067	3.29
14	A"	485	458	0.84
15	A"	22i	20i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.316	0.000
N2	-0.010	0.168	0.000
H3	1.043	-1.621	0.000
H4	-0.493	-1.655	0.902
H5	-0.493	-1.655	-0.902
O6	0.001	0.728	-1.091
O7	0.001	0.728	1.091

	C1	N2	H3	H4	H5	O6	O7
C1		1.4837	1.0862	1.0829	1.0829	2.3167	2.3167
N2	1.4837		2.0759	2.0902	2.0902	1.2262	1.2262
H3	1.0862	2.0759		1.7817	1.7817	2.7916	2.7916
H4	1.0829	2.0902	1.7817		1.8049	3.1454	2.4406
H5	1.0829	2.0902	1.7817	1.8049		2.4406	3.1454
O6	2.3167	1.2262	2.7916	3.1454	2.4406		2.1814
O7	2.3167	1.2262	2.7916	2.4406	3.1454	2.1814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.180	C1	N2	O7	117.180
N2	C1	H3	106.737	N2	C1	H4	108.031
N2	C1	H5	108.031	H3	C1	H4	110.453
H3	C1	H5	110.453	H4	C1	H5	112.885
O6	N2	O7	125.618

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

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

States and conformations

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