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	hartrees
Energy at 0K	-244.342130
Energy at 298.15K	-244.346832
HF Energy	-243.656152
Nuclear repulsion energy	124.403821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3066	1.86
2	A'	3121	2972	1.67
3	A'	1522	1449	10.26
4	A'	1470	1400	66.80
5	A'	1455	1386	12.32
6	A'	1170	1114	0.77
7	A'	949	903	5.32
8	A'	677	645	28.79
9	A'	613	584	6.84
10	A"	3248	3093	0.58
11	A"	1671	1591	263.04
12	A"	1513	1440	39.63
13	A"	1136	1082	15.90
14	A"	488	464	0.75
15	A"	9	9	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	-1.316	0.000
N2	-0.091	0.178	0.000
H3	1.086	-1.563	0.000
H4	-0.455	-1.687	0.907
H5	-0.455	-1.687	-0.907
O6	0.021	0.725	-1.090
O7	0.021	0.725	1.090

	C1	N2	H3	H4	H5	O6	O7
C1		1.4980	1.0938	1.0897	1.0897	2.3136	2.3136
N2	1.4980		2.1017	2.1056	2.1056	1.2246	1.2246
H3	1.0938	2.1017		1.7928	1.7928	2.7491	2.7491
H4	1.0897	2.1056	1.7928		1.8147	3.1675	2.4652
H5	1.0897	2.1056	1.7928	1.8147		2.4652	3.1675
O6	2.3136	1.2246	2.7491	3.1675	2.4652		2.1798
O7	2.3136	1.2246	2.7491	2.4652	3.1675	2.1798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.015	C1	N2	O7	116.015
N2	C1	H3	107.341	N2	C1	H4	107.881
N2	C1	H5	107.881	H3	C1	H4	110.387
H3	C1	H5	110.387	H4	C1	H5	112.752
O6	N2	O7	125.747

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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