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	hartrees
Energy at 0K	-244.423131
Energy at 298.15K
HF Energy	-243.677705
Nuclear repulsion energy	124.271560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3210	3092
2	A'	3099	2985
3	A'	1474	1419
4	A'	1429	1377
5	A'	1399	1348
6	A'	1127	1085
7	A'	942	908
8	A'	673	649
9	A'	601	579
10	A"	3236	3117
11	A"	1671	1609
12	A"	1461	1407
13	A"	1102	1061
14	A"	476	458
15	A"	44	42

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.324	0.000
N2	-0.013	0.175	0.000
H3	1.058	-1.634	0.000
H4	-0.501	-1.666	0.914
H5	-0.501	-1.666	-0.914
O6	0.002	0.730	-1.096
O7	0.002	0.730	1.096

	C1	N2	H3	H4	H5	O6	O7
C1		1.4995	1.1014	1.0983	1.0983	2.3284	2.3284
N2	1.4995		2.1027	2.1135	2.1135	1.2285	1.2285
H3	1.1014	2.1027		1.8084	1.8084	2.8121	2.8121
H4	1.0983	2.1135	1.8084		1.8288	3.1682	2.4554
H5	1.0983	2.1135	1.8084	1.8288		2.4554	3.1682
O6	2.3284	1.2285	2.8121	3.1682	2.4554		2.1920
O7	2.3284	1.2285	2.8121	2.4554	3.1682	2.1920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.839	C1	N2	O7	116.839
N2	C1	H3	106.889	N2	C1	H4	107.891
N2	C1	H5	107.891	H3	C1	H4	110.594
H3	C1	H5	110.594	H4	C1	H5	112.733
O6	N2	O7	126.286

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

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

States and conformations

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