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	hartrees
Energy at 0K	-244.508449
Energy at 298.15K
HF Energy	-243.722334
Nuclear repulsion energy	125.993807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3229	1.78
2	A'	3130	3130	0.96
3	A'	1544	1544	80.05
4	A'	1513	1513	18.59
5	A'	1467	1467	7.46
6	A'	1180	1180	1.25
7	A'	999	999	8.96
8	A'	710	710	30.13
9	A'	636	636	6.43
10	A"	3259	3259	0.37
11	A"	1823	1823	352.38
12	A"	1507	1507	30.42
13	A"	1156	1156	12.38
14	A"	507	507	0.96
15	A"	33	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.313	0.000
N2	-0.014	0.173	0.000
H3	1.048	-1.618	0.000
H4	-0.494	-1.653	0.904
H5	-0.494	-1.653	-0.904
O6	0.002	0.724	-1.075
O7	0.002	0.724	1.075

	C1	N2	H3	H4	H5	O6	O7
C1		1.4862	1.0897	1.0860	1.0860	2.3034	2.3034
N2	1.4862		2.0822	2.0939	2.0939	1.2083	1.2083
H3	1.0897	2.0822		1.7879	1.7879	2.7816	2.7816
H4	1.0860	2.0939	1.7879		1.8083	3.1331	2.4345
H5	1.0860	2.0939	1.7879	1.8083		2.4345	3.1331
O6	2.3034	1.2083	2.7816	3.1331	2.4345		2.1506
O7	2.3034	1.2083	2.7816	2.4345	3.1331	2.1506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.115	C1	N2	O7	117.115
N2	C1	H3	106.860	N2	C1	H4	107.978
N2	C1	H5	107.978	H3	C1	H4	110.526
H3	C1	H5	110.526	H4	C1	H5	112.733
O6	N2	O7	125.728

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

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

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