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	hartrees
Energy at 0K	-243.999327
Energy at 298.15K
HF Energy	-243.522075
Nuclear repulsion energy	122.624314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3207	2.13
2	A'	3110	3110	1.17
3	A'	1542	1542	14.33
4	A'	1496	1496	0.45
5	A'	1398	1398	49.23
6	A'	1193	1193	0.26
7	A'	928	928	2.61
8	A'	667	667	33.56
9	A'	598	598	4.65
10	A"	3237	3237	0.22
11	A"	1656	1656	188.35
12	A"	1541	1541	50.63
13	A"	1159	1159	21.78
14	A"	490	490	0.81
15	A"	46	46	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.337	0.000
N2	-0.013	0.160	0.000
H3	1.049	-1.661	0.000
H4	-0.506	-1.669	0.907
H5	-0.506	-1.669	-0.907
O6	0.002	0.744	-1.114
O7	0.002	0.744	1.114

	C1	N2	H3	H4	H5	O6	O7
C1		1.4978	1.0952	1.0914	1.0914	2.3606	2.3606
N2	1.4978		2.1083	2.1007	2.1007	1.2575	1.2575
H3	1.0952	2.1083		1.7999	1.7999	2.8495	2.8495
H4	1.0914	2.1007	1.7999		1.8141	3.1883	2.4748
H5	1.0914	2.1007	1.7999	1.8141		2.4748	3.1883
O6	2.3606	1.2575	2.8495	3.1883	2.4748		2.2274
O7	2.3606	1.2575	2.8495	2.4748	3.1883	2.2274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.645	C1	N2	O7	117.645
N2	C1	H3	107.779	N2	C1	H4	107.415
N2	C1	H5	107.415	H3	C1	H4	110.795
H3	C1	H5	110.795	H4	C1	H5	112.413
O6	N2	O7	124.670

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

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