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	hartrees
Energy at 0K	-244.664054
Energy at 298.15K
HF Energy	-243.754142
Nuclear repulsion energy	124.914668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3184	3143
2	A'	3086	3046
3	A'	1489	1470
4	A'	1434	1415
5	A'	1420	1401
6	A'	1146	1131
7	A'	938	926
8	A'	671	662
9	A'	608	600
10	A"	3212	3170
11	A"	1631	1610
12	A"	1481	1462
13	A"	1119	1105
14	A"	480	474
15	A"	29i	29i

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.321	0.000
N2	-0.010	0.171	0.000
H3	1.046	-1.626	0.000
H4	-0.496	-1.657	0.905
H5	-0.496	-1.657	-0.905
O6	0.001	0.729	-1.089
O7	0.001	0.729	1.089

	C1	N2	H3	H4	H5	O6	O7
C1		1.4927	1.0890	1.0857	1.0857	2.3216	2.3216
N2	1.4927		2.0843	2.0977	2.0977	1.2232	1.2232
H3	1.0890	2.0843		1.7882	1.7882	2.7971	2.7971
H4	1.0857	2.0977	1.7882		1.8105	3.1493	2.4447
H5	1.0857	2.0977	1.7882	1.8105		2.4447	3.1493
O6	2.3216	1.2232	2.7971	3.1493	2.4447		2.1772
O7	2.3216	1.2232	2.7971	2.4447	3.1493	2.1772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.129	C1	N2	O7	117.129
N2	C1	H3	106.628	N2	C1	H4	107.849
N2	C1	H5	107.849	H3	C1	H4	110.626
H3	C1	H5	110.626	H4	C1	H5	112.980
O6	N2	O7	125.723

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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)/6-311+G(3df,2p)

States and conformations

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