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	hartrees
Energy at 0K	-244.506662
Energy at 298.15K
HF Energy	-243.772270
Nuclear repulsion energy	127.052410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3302	1.40
2	A'	3205	3205	0.99
3	A'	1585	1585	82.23
4	A'	1548	1548	17.22
5	A'	1496	1496	1.21
6	A'	1212	1212	1.17
7	A'	1016	1016	5.81
8	A'	721	721	31.56
9	A'	665	665	8.16
10	A"	3333	3333	0.10
11	A"	1792	1792	474.10
12	A"	1537	1537	36.87
13	A"	1175	1175	18.03
14	A"	509	509	1.21
15	A"	30	30	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-1.304	0.000
N2	-0.010	0.174	0.000
H3	1.037	-1.603	0.000
H4	-0.489	-1.640	0.897
H5	-0.489	-1.640	-0.897
O6	0.000	0.718	-1.066
O7	0.000	0.718	1.066

	C1	N2	H3	H4	H5	O6	O7
C1		1.4774	1.0789	1.0752	1.0752	2.2859	2.2859
N2	1.4774		2.0623	2.0786	2.0786	1.1974	1.1974
H3	1.0789	2.0623		1.7702	1.7702	2.7569	2.7569
H4	1.0752	2.0786	1.7702		1.7931	3.1066	2.4139
H5	1.0752	2.0786	1.7702	1.7931		2.4139	3.1066
O6	2.2859	1.1974	2.7569	3.1066	2.4139		2.1326
O7	2.2859	1.1974	2.7569	2.4139	3.1066	2.1326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.049	C1	N2	O7	117.049
N2	C1	H3	106.518	N2	C1	H4	108.002
N2	C1	H5	108.002	H3	C1	H4	110.528
H3	C1	H5	110.528	H4	C1	H5	112.988
O6	N2	O7	125.882

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

using model chemistry: CISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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