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	hartrees
Energy at 0K	-244.507846
Energy at 298.15K
HF Energy	-243.687418
Nuclear repulsion energy	125.532901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3059	0.95
2	A'	3134	2963	0.97
3	A'	1509	1426	35.99
4	A'	1494	1413	46.81
5	A'	1444	1365	2.67
6	A'	1167	1103	0.99
7	A'	967	914	5.78
8	A'	689	651	27.67
9	A'	628	594	5.65
10	A"	3263	3085	0.08
11	A"	1732	1638	302.15
12	A"	1494	1412	31.38
13	A"	1136	1074	12.04
14	A"	487	461	0.82
15	A"	37i	35i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.026	-1.305	0.000
N2	-0.114	0.180	0.000
H3	1.093	-1.529	0.000
H4	-0.439	-1.685	0.905
H5	-0.439	-1.685	-0.905
O6	0.026	0.717	-1.077
O7	0.026	0.717	1.077

	C1	N2	H3	H4	H5	O6	O7
C1		1.4914	1.0899	1.0861	1.0861	2.2911	2.2911
N2	1.4914		2.0921	2.0979	2.0979	1.2116	1.2116
H3	1.0899	2.0921		1.7858	1.7858	2.7100	2.7100
H4	1.0861	2.0979	1.7858		1.8101	3.1486	2.4526
H5	1.0861	2.0979	1.7858	1.8101		2.4526	3.1486
O6	2.2911	1.2116	2.7100	3.1486	2.4526		2.1535
O7	2.2911	1.2116	2.7100	2.4526	3.1486	2.1535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	115.519	C1	N2	O7	115.519
N2	C1	H3	107.261	N2	C1	H4	107.927
N2	C1	H5	107.927	H3	C1	H4	110.313
H3	C1	H5	110.313	H4	C1	H5	112.882
O6	N2	O7	125.425

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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