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	hartrees
Energy at 0K	-244.493862
Energy at 298.15K
HF Energy	-243.746485
Nuclear repulsion energy	125.098304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3073	2.31
2	A'	3119	2977	2.06
3	A'	1507	1439	10.22
4	A'	1464	1398	27.19
5	A'	1455	1388	45.82
6	A'	1171	1117	0.13
7	A'	958	915	6.26
8	A'	683	651	25.63
9	A'	612	584	5.87
10	A"	3247	3099	0.42
11	A"	1661	1586	360.22
12	A"	1501	1432	41.27
13	A"	1145	1093	21.81
14	A"	492	469	0.89
15	A"	18	17	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.324	0.000
N2	-0.012	0.173	0.000
H3	1.046	-1.627	0.000
H4	-0.496	-1.660	0.903
H5	-0.496	-1.660	-0.903
O6	0.002	0.730	-1.084
O7	0.002	0.730	1.084

	C1	N2	H3	H4	H5	O6	O7
C1		1.4966	1.0880	1.0847	1.0847	2.3223	2.3223
N2	1.4966		2.0881	2.0995	2.0995	1.2191	1.2191
H3	1.0880	2.0881		1.7879	1.7879	2.7967	2.7967
H4	1.0847	2.0995	1.7879		1.8069	3.1477	2.4475
H5	1.0847	2.0995	1.7879	1.8069		2.4475	3.1477
O6	2.3223	1.2191	2.7967	3.1477	2.4475		2.1685
O7	2.3223	1.2191	2.7967	2.4475	3.1477	2.1685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.185	C1	N2	O7	117.185
N2	C1	H3	106.711	N2	C1	H4	107.778
N2	C1	H5	107.778	H3	C1	H4	110.752
H3	C1	H5	110.752	H4	C1	H5	112.792
O6	N2	O7	125.595

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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