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	hartrees
Energy at 0K	-244.414557
Energy at 298.15K
HF Energy	-243.677416
Nuclear repulsion energy	124.187055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3203	3135
2	A'	3093	3027
3	A'	1471	1440
4	A'	1425	1394
5	A'	1397	1368
6	A'	1125	1101
7	A'	935	915
8	A'	671	657
9	A'	599	586
10	A"	3229	3161
11	A"	1669	1634
12	A"	1459	1428
13	A"	1100	1077
14	A"	478	468
15	A"	43	42

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.325	0.000
N2	-0.013	0.176	0.000
H3	1.059	-1.635	0.000
H4	-0.502	-1.667	0.915
H5	-0.502	-1.667	-0.915
O6	0.002	0.731	-1.097
O7	0.002	0.731	1.097

	C1	N2	H3	H4	H5	O6	O7
C1		1.5010	1.1025	1.0993	1.0993	2.3302	2.3302
N2	1.5010		2.1045	2.1152	2.1152	1.2292	1.2292
H3	1.1025	2.1045		1.8103	1.8103	2.8142	2.8142
H4	1.0993	2.1152	1.8103		1.8307	3.1705	2.4570
H5	1.0993	2.1152	1.8103	1.8307		2.4570	3.1705
O6	2.3302	1.2292	2.8142	3.1705	2.4570		2.1932
O7	2.3302	1.2292	2.8142	2.4570	3.1705	2.1932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.838	C1	N2	O7	116.838
N2	C1	H3	106.870	N2	C1	H4	107.868
N2	C1	H5	107.868	H3	C1	H4	110.617
H3	C1	H5	110.617	H4	C1	H5	112.749
O6	N2	O7	126.289

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

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