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	hartrees
Energy at 0K	-48.547935
Energy at 298.15K
HF Energy	-48.051239
Nuclear repulsion energy	66.992975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3086	7.18
2	A'	3028	2956	6.25
3	A'	1499	1463	13.76
4	A'	1466	1431	1.00
5	A'	1337	1305	18.14
6	A'	1168	1140	0.26
7	A'	867	846	1.07
8	A'	616	602	30.41
9	A'	555	542	1.68
10	A"	3185	3108	1.00
11	A"	1817	1774	12.93
12	A"	1513	1477	16.48
13	A"	1158	1130	2.02
14	A"	459	448	0.65
15	A"	23	23	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	-1.368	0.000
N2	-0.013	0.153	0.000
H3	1.052	-1.688	0.000
H4	-0.508	-1.695	0.911
H5	-0.508	-1.695	-0.911
O6	0.003	0.764	-1.157
O7	0.003	0.764	1.157

	C1	N2	H3	H4	H5	O6	O7
C1		1.5214	1.0972	1.0944	1.0944	2.4256	2.4256
N2	1.5214		2.1272	2.1191	2.1191	1.3085	1.3085
H3	1.0972	2.1272		1.8068	1.8068	2.9073	2.9073
H4	1.0944	2.1191	1.8068		1.8221	3.2531	2.5231
H5	1.0944	2.1191	1.8068	1.8221		2.5231	3.2531
O6	2.4256	1.3085	2.9073	3.2531	2.5231		2.3144
O7	2.4256	1.3085	2.9073	2.5231	3.2531	2.3144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.804	C1	N2	O7	117.804
N2	C1	H3	107.546	N2	C1	H4	107.083
N2	C1	H5	107.083	H3	C1	H4	111.060
H3	C1	H5	111.060	H4	C1	H5	112.709
O6	N2	O7	124.353

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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