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	hartrees
Energy at 0K	-244.424369
Energy at 298.15K
HF Energy	-243.677412
Nuclear repulsion energy	124.195331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3208	3077
2	A'	3097	2970
3	A'	1473	1413
4	A'	1423	1364
5	A'	1397	1340
6	A'	1125	1079
7	A'	931	893
8	A'	677	649
9	A'	597	572
10	A"	3234	3101
11	A"	1657	1589
12	A"	1461	1401
13	A"	1101	1056
14	A"	476	456
15	A"	35	33

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	-0.501	-1.667	0.915
H5	-0.501	-1.667	-0.915
O6	0.002	0.730	-1.097
O7	0.002	0.730	1.097

	C1	N2	H3	H4	H5	O6	O7
C1		1.5004	1.1015	1.0984	1.0984	2.3296	2.3296
N2	1.5004		2.1034	2.1144	2.1144	1.2294	1.2294
H3	1.1015	2.1034		1.8086	1.8086	2.8133	2.8133
H4	1.0984	2.1144	1.8086		1.8290	3.1697	2.4565
H5	1.0984	2.1144	1.8086	1.8290		2.4565	3.1697
O6	2.3296	1.2294	2.8133	3.1697	2.4565		2.1939
O7	2.3296	1.2294	2.8133	2.4565	3.1697	2.1939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.822	C1	N2	O7	116.822
N2	C1	H3	106.882	N2	C1	H4	107.899
N2	C1	H5	107.899	H3	C1	H4	110.593
H3	C1	H5	110.593	H4	C1	H5	112.726
O6	N2	O7	126.320

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

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

States and conformations

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