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	hartrees
Energy at 0K	-244.351318
Energy at 298.15K
HF Energy	-243.657013
Nuclear repulsion energy	124.688318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3063	1.57
2	A'	3126	2969	1.36
3	A'	1524	1448	11.14
4	A'	1490	1415	70.09
5	A'	1461	1388	5.96
6	A'	1175	1116	0.88
7	A'	961	913	5.01
8	A'	684	650	30.28
9	A'	619	588	6.94
10	A"	3253	3090	0.38
11	A"	1719	1633	272.85
12	A"	1516	1440	32.97
13	A"	1145	1087	13.85
14	A"	492	467	0.79
15	A"	31	29	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.319	0.000
N2	-0.014	0.170	0.000
H3	1.050	-1.625	0.000
H4	-0.498	-1.656	0.907
H5	-0.498	-1.656	-0.907
O6	0.002	0.729	-1.093
O7	0.002	0.729	1.093

	C1	N2	H3	H4	H5	O6	O7
C1		1.4885	1.0925	1.0890	1.0890	2.3210	2.3210
N2	1.4885		2.0866	2.0955	2.0955	1.2278	1.2278
H3	1.0925	2.0866		1.7944	1.7944	2.7992	2.7992
H4	1.0890	2.0955	1.7944		1.8140	3.1525	2.4440
H5	1.0890	2.0955	1.7944	1.8140		2.4440	3.1525
O6	2.3210	1.2278	2.7992	3.1525	2.4440		2.1859
O7	2.3210	1.2278	2.7992	2.4440	3.1525	2.1859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.081	C1	N2	O7	117.081
N2	C1	H3	106.883	N2	C1	H4	107.771
N2	C1	H5	107.771	H3	C1	H4	110.681
H3	C1	H5	110.681	H4	C1	H5	112.788
O6	N2	O7	125.795

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

using model chemistry: CCSD=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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