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	hartrees
Energy at 0K	-169.337094
Energy at 298.15K	-169.340806
HF Energy	-168.831297
Nuclear repulsion energy	70.254792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3039	10.82
2	A'	3120	2925	3.45
3	A'	1716	1609	30.13
4	A'	1524	1429	13.35
5	A'	1445	1355	10.53
6	A'	1194	1120	11.97
7	A'	915	858	9.56
8	A'	593	556	2.57
9	A"	3218	3018	8.25
10	A"	1525	1430	7.49
11	A"	1015	952	3.14
12	A"	148	138	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.950	-0.562	0.000
N2	0.000	0.579	0.000
O3	1.160	0.217	0.000
H4	-0.419	-1.511	0.000
H5	-1.580	-0.455	0.882
H6	-1.580	-0.455	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4848	2.2487	1.0880	1.0895	1.0895
N2	1.4848		1.2150	2.1322	2.0843	2.0843
O3	2.2487	1.2150		2.3407	2.9557	2.9557
H4	1.0880	2.1322	2.3407		1.8010	1.8010
H5	1.0895	2.0843	2.9557	1.8010		1.7645
H6	1.0895	2.0843	2.9557	1.8010	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.422	N2	C1	H4	111.007
N2	C1	H5	107.125	N2	C1	H6	107.125
H4	C1	H5	111.607	H4	C1	H6	111.607
H5	C1	H6	108.144

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCD/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 CH3NO (nitrosomethane)

using model chemistry: CCD/6-31G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)