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	hartrees
Energy at 0K	-244.373517
Energy at 298.15K
HF Energy	-243.681697
Nuclear repulsion energy	125.466625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3072	1.45
2	A'	3134	2971	1.31
3	A'	1537	1457	87.48
4	A'	1485	1408	12.66
5	A'	1425	1351	1.56
6	A'	1149	1089	1.08
7	A'	993	941	10.34
8	A'	704	668	30.48
9	A'	629	597	6.46
10	A"	3271	3101	0.24
11	A"	1832	1737	306.90
12	A"	1473	1397	23.83
13	A"	1127	1068	10.54
14	A"	498	472	0.69
15	A"	40	38	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.315	0.000
N2	-0.013	0.175	0.000
H3	1.056	-1.626	0.000
H4	-0.499	-1.659	0.912
H5	-0.499	-1.659	-0.912
O6	0.001	0.725	-1.081
O7	0.001	0.725	1.081

	C1	N2	H3	H4	H5	O6	O7
C1		1.4904	1.0999	1.0961	1.0961	2.3091	2.3091
N2	1.4904		2.0951	2.1060	2.1060	1.2130	1.2130
H3	1.0999	2.0951		1.8034	1.8034	2.7950	2.7950
H4	1.0961	2.1060	1.8034		1.8248	3.1482	2.4426
H5	1.0961	2.1060	1.8034	1.8248		2.4426	3.1482
O6	2.3091	1.2130	2.7950	3.1482	2.4426		2.1620
O7	2.3091	1.2130	2.7950	2.4426	3.1482	2.1620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.955	C1	N2	O7	116.955
N2	C1	H3	106.996	N2	C1	H4	108.051
N2	C1	H5	108.051	H3	C1	H4	110.415
H3	C1	H5	110.415	H4	C1	H5	112.692
O6	N2	O7	126.053

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

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

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