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	hartrees
Energy at 0K	-244.480279
Energy at 298.15K
HF Energy	-243.699483
Nuclear repulsion energy	123.686625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3176	3105
2	A'	3071	3003
3	A'	1463	1430
4	A'	1408	1377
5	A'	1392	1361
6	A'	1125	1100
7	A'	918	897
8	A'	656	641
9	A'	591	578
10	A"	3205	3134
11	A"	1594	1558
12	A"	1451	1419
13	A"	1098	1074
14	A"	472	462
15	A"	27	26

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.333	0.000
N2	-0.010	0.172	0.000
H3	1.060	-1.638	0.000
H4	-0.502	-1.670	0.917
H5	-0.502	-1.670	-0.917
O6	0.001	0.736	-1.100
O7	0.001	0.736	1.100

	C1	N2	H3	H4	H5	O6	O7
C1		1.5043	1.1018	1.0984	1.0984	2.3428	2.3428
N2	1.5043		2.1021	2.1146	2.1146	1.2364	1.2364
H3	1.1018	2.1021		1.8109	1.8109	2.8222	2.8222
H4	1.0984	2.1146	1.8109		1.8332	3.1789	2.4641
H5	1.0984	2.1146	1.8109	1.8332		2.4641	3.1789
O6	2.3428	1.2364	2.8222	3.1789	2.4641		2.2003
O7	2.3428	1.2364	2.8222	2.4641	3.1789	2.2003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.141	C1	N2	O7	117.141
N2	C1	H3	106.504	N2	C1	H4	107.654
N2	C1	H5	107.654	H3	C1	H4	110.789
H3	C1	H5	110.789	H4	C1	H5	113.130
O6	N2	O7	125.697

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

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

States and conformations

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