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	hartrees
Energy at 0K	-169.415133
Energy at 298.15K	-169.418796
HF Energy	-168.853432
Nuclear repulsion energy	69.569388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3142	3072
2	A'	3019	2952
3	A'	1571	1536
4	A'	1438	1406
5	A'	1358	1328
6	A'	1140	1115
7	A'	855	836
8	A'	567	555
9	A"	3118	3049
10	A"	1442	1410
11	A"	964	943
12	A"	147	144

Atom	x (Å)	y (Å)	z (Å)
C1	-0.959	-0.570	0.000
N2	0.000	0.582	0.000
O3	1.171	0.223	0.000
H4	-0.419	-1.533	0.000
H5	-1.597	-0.452	0.894
H6	-1.597	-0.452	-0.894

	C1	N2	O3	H4	H5	H6
C1		1.4990	2.2729	1.1033	1.1048	1.1048
N2	1.4990		1.2244	2.1554	2.1019	2.1019
O3	2.2729	1.2244		2.3686	2.9859	2.9859
H4	1.1033	2.1554	2.3686		1.8317	1.8317
H5	1.1048	2.1019	2.9859	1.8317		1.7884
H6	1.1048	2.1019	2.9859	1.8317	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.748	N2	C1	H4	110.926
N2	C1	H5	106.669	N2	C1	H6	106.669
H4	C1	H5	112.103	H4	C1	H6	112.103
H5	C1	H6	108.065

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD(T)/aug-cc-pVDZ

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: QCISD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)