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	hartrees
Energy at 0K	-244.384280
Energy at 298.15K
HF Energy	-243.670260
Nuclear repulsion energy	124.311640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3079	1.88
2	A'	3150	2978	2.84
3	A'	1526	1442	9.71
4	A'	1466	1386	9.33
5	A'	1453	1374	56.10
6	A'	1168	1104	0.22
7	A'	941	890	2.87
8	A'	668	632	25.57
9	A'	606	573	5.42
10	A"	3285	3106	0.22
11	A"	1627	1538	342.45
12	A"	1514	1431	60.41
13	A"	1141	1079	24.35
14	A"	485	458	1.01
15	A"	46	43	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.326	0.000
N2	-0.012	0.169	0.000
H3	1.046	-1.627	0.000
H4	-0.496	-1.659	0.904
H5	-0.496	-1.659	-0.904
O6	0.001	0.732	-1.097
O7	0.001	0.732	1.097

	C1	N2	H3	H4	H5	O6	O7
C1		1.4948	1.0875	1.0842	1.0842	2.3315	2.3315
N2	1.4948		2.0850	2.0957	2.0957	1.2327	1.2327
H3	1.0875	2.0850		1.7880	1.7880	2.8035	2.8035
H4	1.0842	2.0957	1.7880		1.8078	3.1567	2.4495
H5	1.0842	2.0957	1.7880	1.8078		2.4495	3.1567
O6	2.3315	1.2327	2.8035	3.1567	2.4495		2.1931
O7	2.3315	1.2327	2.8035	2.4495	3.1567	2.1931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.162	C1	N2	O7	117.162
N2	C1	H3	106.623	N2	C1	H4	107.640
N2	C1	H5	107.640	H3	C1	H4	110.833
H3	C1	H5	110.833	H4	C1	H5	112.963
O6	N2	O7	125.642

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

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

States and conformations

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