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	hartrees
Energy at 0K	-244.390345
Energy at 298.15K
HF Energy	-243.679527
Nuclear repulsion energy	124.725312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3088	2.03
2	A'	3110	2984	2.31
3	A'	1482	1422	19.22
4	A'	1467	1407	80.37
5	A'	1412	1354	1.58
6	A'	1138	1092	0.69
7	A'	955	916	9.86
8	A'	684	656	26.96
9	A'	616	591	6.56
10	A"	3246	3114	0.53
11	A"	1684	1615	276.98
12	A"	1466	1407	30.14
13	A"	1110	1065	13.83
14	A"	487	467	0.52
15	A"	12	12	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.322	0.000
N2	-0.012	0.177	0.000
H3	1.058	-1.630	0.000
H4	-0.500	-1.665	0.914
H5	-0.500	-1.665	-0.914
O6	0.001	0.728	-1.090
O7	0.001	0.728	1.090

	C1	N2	H3	H4	H5	O6	O7
C1		1.4982	1.1011	1.0977	1.0977	2.3216	2.3216
N2	1.4982		2.1000	2.1129	2.1129	1.2218	1.2218
H3	1.1011	2.1000		1.8073	1.8073	2.8046	2.8046
H4	1.0977	2.1129	1.8073		1.8284	3.1614	2.4512
H5	1.0977	2.1129	1.8073	1.8284		2.4512	3.1614
O6	2.3216	1.2218	2.8046	3.1614	2.4512		2.1802
O7	2.3216	1.2218	2.8046	2.4512	3.1614	2.1802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.828	C1	N2	O7	116.828
N2	C1	H3	106.785	N2	C1	H4	107.963
N2	C1	H5	107.963	H3	C1	H4	110.555
H3	C1	H5	110.555	H4	C1	H5	112.771
O6	N2	O7	126.310

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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