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	hartrees
Energy at 0K	-244.497085
Energy at 298.15K
HF Energy	-243.759272
Nuclear repulsion energy	127.069034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3040	1.33
2	A'	3200	2950	1.20
3	A'	1592	1468	75.12
4	A'	1549	1428	16.52
5	A'	1496	1379	1.24
6	A'	1211	1117	0.95
7	A'	1018	938	4.42
8	A'	722	665	30.02
9	A'	666	614	7.35
10	A"	3329	3069	0.03
11	A"	1794	1654	492.96
12	A"	1542	1422	38.43
13	A"	1178	1086	17.80
14	A"	511	471	1.41
15	A"	22i	20i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-1.304	0.000
N2	-0.010	0.173	0.000
H3	1.038	-1.604	0.000
H4	-0.489	-1.640	0.897
H5	-0.489	-1.640	-0.897
O6	0.000	0.719	-1.065
O7	0.000	0.719	1.065

	C1	N2	H3	H4	H5	O6	O7
C1		1.4774	1.0796	1.0759	1.0759	2.2863	2.2863
N2	1.4774		2.0623	2.0792	2.0792	1.1970	1.1970
H3	1.0796	2.0623		1.7713	1.7713	2.7574	2.7574
H4	1.0759	2.0792	1.7713		1.7947	3.1074	2.4150
H5	1.0759	2.0792	1.7713	1.7947		2.4150	3.1074
O6	2.2863	1.1970	2.7574	3.1074	2.4150		2.1307
O7	2.2863	1.1970	2.7574	2.4150	3.1074	2.1307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.112	C1	N2	O7	117.112
N2	C1	H3	106.479	N2	C1	H4	108.010
N2	C1	H5	108.010	H3	C1	H4	110.517
H3	C1	H5	110.517	H4	C1	H5	113.030
O6	N2	O7	125.757

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

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

States and conformations

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