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	hartrees
Energy at 0K	-244.365574
Energy at 298.15K
HF Energy	-243.672711
Nuclear repulsion energy	125.094147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3056	1.44
2	A'	3179	2958	1.75
3	A'	1537	1430	22.17
4	A'	1523	1417	49.74
5	A'	1475	1373	3.55
6	A'	1179	1097	0.42
7	A'	980	912	3.88
8	A'	689	641	29.38
9	A'	620	577	5.26
10	A"	3314	3084	0.08
11	A"	1778	1655	411.29
12	A"	1525	1419	31.14
13	A"	1159	1079	17.40
14	A"	496	462	1.18
15	A"	45	42	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.319	0.000
N2	-0.012	0.168	0.000
H3	1.044	-1.624	0.000
H4	-0.495	-1.653	0.902
H5	-0.495	-1.653	-0.902
O6	0.001	0.729	-1.087
O7	0.001	0.729	1.087

	C1	N2	H3	H4	H5	O6	O7
C1		1.4876	1.0858	1.0824	1.0824	2.3189	2.3189
N2	1.4876		2.0797	2.0889	2.0889	1.2230	1.2230
H3	1.0858	2.0797		1.7838	1.7838	2.7936	2.7936
H4	1.0824	2.0889	1.7838		1.8046	3.1426	2.4402
H5	1.0824	2.0889	1.7838	1.8046		2.4402	3.1426
O6	2.3189	1.2230	2.7936	3.1426	2.4402		2.1732
O7	2.3189	1.2230	2.7936	2.4402	3.1426	2.1732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.301	C1	N2	O7	117.301
N2	C1	H3	106.791	N2	C1	H4	107.700
N2	C1	H5	107.700	H3	C1	H4	110.712
H3	C1	H5	110.712	H4	C1	H5	112.942
O6	N2	O7	125.369

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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