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	hartrees
Energy at 0K	-244.331963
Energy at 298.15K	-244.336693
HF Energy	-243.653395
Nuclear repulsion energy	123.902152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3075	1.20
2	A'	3151	2972	1.25
3	A'	1535	1448	10.80
4	A'	1464	1381	0.89
5	A'	1435	1353	59.39
6	A'	1171	1105	0.37
7	A'	943	889	5.67
8	A'	672	634	27.34
9	A'	600	566	4.17
10	A"	3286	3099	0.08
11	A"	1815	1712	83.76
12	A"	1530	1443	19.18
13	A"	1150	1085	2.26
14	A"	485	457	0.49
15	A"	28	27	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	-1.317	0.000
N2	-0.078	0.176	0.000
H3	1.077	-1.577	0.000
H4	-0.461	-1.682	0.905
H5	-0.461	-1.682	-0.905
O6	0.018	0.725	-1.098
O7	0.018	0.725	1.098

	C1	N2	H3	H4	H5	O6	O7
C1		1.4959	1.0912	1.0874	1.0874	2.3185	2.3185
N2	1.4959		2.0992	2.1026	2.1026	1.2314	1.2314
H3	1.0912	2.0992		1.7881	1.7881	2.7619	2.7619
H4	1.0874	2.1026	1.7881		1.8106	3.1685	2.4624
H5	1.0874	2.1026	1.7881	1.8106		2.4624	3.1685
O6	2.3185	1.2314	2.7619	3.1685	2.4624		2.1962
O7	2.3185	1.2314	2.7619	2.4624	3.1685	2.1962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.109	C1	N2	O7	116.109
N2	C1	H3	107.441	N2	C1	H4	107.914
N2	C1	H5	107.914	H3	C1	H4	110.324
H3	C1	H5	110.324	H4	C1	H5	112.723
O6	N2	O7	126.179

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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