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	hartrees
Energy at 0K	-244.329840
Energy at 298.15K	-244.334639
HF Energy	-243.657842
Nuclear repulsion energy	124.920951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3056	1.44
2	A'	3129	2962	1.17
3	A'	1530	1448	34.25
4	A'	1517	1436	51.43
5	A'	1465	1387	3.59
6	A'	1178	1115	0.99
7	A'	976	924	5.90
8	A'	692	655	31.25
9	A'	624	591	6.93
10	A"	3257	3083	0.29
11	A"	1803	1707	297.17
12	A"	1519	1437	26.81
13	A"	1151	1089	11.84
14	A"	496	470	0.85
15	A"	42	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	-1.312	0.000
N2	-0.103	0.176	0.000
H3	1.091	-1.549	0.000
H4	-0.448	-1.687	0.907
H5	-0.448	-1.687	-0.907
O6	0.024	0.722	-1.084
O7	0.024	0.722	1.084

	C1	N2	H3	H4	H5	O6	O7
C1		1.4936	1.0935	1.0893	1.0893	2.3050	2.3050
N2	1.4936		2.0985	2.1008	2.1008	1.2203	1.2203
H3	1.0935	2.0985		1.7924	1.7924	2.7339	2.7339
H4	1.0893	2.1008	1.7924		1.8142	3.1609	2.4614
H5	1.0893	2.1008	1.7924	1.8142		2.4614	3.1609
O6	2.3050	1.2203	2.7339	3.1609	2.4614		2.1678
O7	2.3050	1.2203	2.7339	2.4614	3.1609	2.1678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	115.913	C1	N2	O7	115.913
N2	C1	H3	107.410	N2	C1	H4	107.829
N2	C1	H5	107.829	H3	C1	H4	110.396
H3	C1	H5	110.396	H4	C1	H5	112.769
O6	N2	O7	125.305

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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