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	hartrees
Energy at 0K	-244.289108
Energy at 298.15K
HF Energy	-243.683325
Nuclear repulsion energy	126.189262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3049	1.26
2	A'	3198	2948	1.21
3	A'	1582	1459	100.20
4	A'	1522	1403	13.12
5	A'	1463	1348	0.66
6	A'	1185	1092	1.54
7	A'	1012	933	8.64
8	A'	719	663	33.59
9	A'	653	602	8.71
10	A"	3338	3077	0.15
11	A"	1834	1690	373.62
12	A"	1508	1390	28.40
13	A"	1156	1065	13.52
14	A"	508	469	0.71
15	A"	4	4	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.309	0.000
N2	-0.012	0.176	0.000
H3	1.051	-1.614	0.000
H4	-0.496	-1.651	0.908
H5	-0.496	-1.651	-0.908
O6	0.001	0.721	-1.074
O7	0.001	0.721	1.074

	C1	N2	H3	H4	H5	O6	O7
C1		1.4849	1.0932	1.0896	1.0896	2.2973	2.2973
N2	1.4849		2.0816	2.0961	2.0961	1.2051	1.2051
H3	1.0932	2.0816		1.7935	1.7935	2.7769	2.7769
H4	1.0896	2.0961	1.7935		1.8155	3.1309	2.4292
H5	1.0896	2.0961	1.7935	1.8155		2.4292	3.1309
O6	2.2973	1.2051	2.7769	3.1309	2.4292		2.1488
O7	2.2973	1.2051	2.7769	2.4292	3.1309	2.1488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.918	C1	N2	O7	116.918
N2	C1	H3	106.703	N2	C1	H4	108.024
N2	C1	H5	108.024	H3	C1	H4	110.499
H3	C1	H5	110.499	H4	C1	H5	112.840
O6	N2	O7	126.134

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

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

States and conformations

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