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	hartrees
Energy at 0K	-244.749309
Energy at 298.15K
HF Energy	-243.767478
Nuclear repulsion energy	125.030409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3189	3189
2	A'	3092	3092
3	A'	1491	1491
4	A'	1431	1431
5	A'	1416	1416
6	A'	1149	1149
7	A'	936	936
8	A'	672	672
9	A'	608	608
10	A"	3216	3216
11	A"	1633	1633
12	A"	1477	1477
13	A"	1114	1114
14	A"	471	471
15	A"	37	37

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.319	0.000
N2	-0.010	0.172	0.000
H3	1.043	-1.624	0.000
H4	-0.494	-1.654	0.902
H5	-0.494	-1.654	-0.902
O6	0.001	0.728	-1.089
O7	0.001	0.728	1.089

	C1	N2	H3	H4	H5	O6	O7
C1		1.4910	1.0856	1.0824	1.0824	2.3185	2.3185
N2	1.4910		2.0817	2.0937	2.0937	1.2227	1.2227
H3	1.0856	2.0817		1.7825	1.7825	2.7932	2.7932
H4	1.0824	2.0937	1.7825		1.8045	3.1441	2.4403
H5	1.0824	2.0937	1.7825	1.8045		2.4403	3.1441
O6	2.3185	1.2227	2.7932	3.1441	2.4403		2.1779
O7	2.3185	1.2227	2.7932	2.4403	3.1441	2.1779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.041	C1	N2	O7	117.041
N2	C1	H3	106.733	N2	C1	H4	107.844
N2	C1	H5	107.844	H3	C1	H4	110.608
H3	C1	H5	110.608	H4	C1	H5	112.932
O6	N2	O7	125.896

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

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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