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	hartrees
Energy at 0K	-244.625040
Energy at 298.15K
HF Energy	-243.756285
Nuclear repulsion energy	125.552194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3055	1.56
2	A'	3107	2963	1.89
3	A'	1503	1434	13.29
4	A'	1477	1409	65.22
5	A'	1441	1374	3.44
6	A'	1163	1109	0.43
7	A'	961	916	4.24
8	A'	685	653	24.35
9	A'	628	599	5.11
10	A"	3232	3082	0.12
11	A"	1647	1571	374.52
12	A"	1493	1424	49.74
13	A"	1131	1079	18.71
14	A"	489	467	1.22
15	A"	28i	27i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.317	0.000
N2	-0.010	0.172	0.000
H3	1.045	-1.618	0.000
H4	-0.493	-1.654	0.904
H5	-0.493	-1.654	-0.904
O6	0.001	0.726	-1.081
O7	0.001	0.726	1.081

	C1	N2	H3	H4	H5	O6	O7
C1		1.4892	1.0874	1.0839	1.0839	2.3114	2.3114
N2	1.4892		2.0787	2.0947	2.0947	1.2147	1.2147
H3	1.0874	2.0787		1.7848	1.7848	2.7853	2.7853
H4	1.0839	2.0947	1.7848		1.8078	3.1387	2.4378
H5	1.0839	2.0947	1.7848	1.8078		2.4378	3.1387
O6	2.3114	1.2147	2.7853	3.1387	2.4378		2.1621
O7	2.3114	1.2147	2.7853	2.4378	3.1387	2.1621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.121	C1	N2	O7	117.121
N2	C1	H3	106.520	N2	C1	H4	107.952
N2	C1	H5	107.952	H3	C1	H4	110.567
H3	C1	H5	110.567	H4	C1	H5	113.001
O6	N2	O7	125.738

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

using model chemistry: QCISD/6-311+G(3df,2p)

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: QCISD/6-311+G(3df,2p)

States and conformations

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