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	hartrees
Energy at 0K	-169.375069
Energy at 298.15K	-169.378697
HF Energy	-168.840144
Nuclear repulsion energy	69.714440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3019
2	A'	3042	2899
3	A'	1604	1529
4	A'	1446	1378
5	A'	1362	1298
6	A'	1139	1086
7	A'	851	811
8	A'	573	546
9	A"	3148	3000
10	A"	1454	1386
11	A"	960	915
12	A"	126	120

Atom	x (Å)	y (Å)	z (Å)
C1	-0.954	-0.573	0.000
N2	0.000	0.585	0.000
O3	1.165	0.226	0.000
H4	-0.408	-1.533	0.000
H5	-1.594	-0.464	0.895
H6	-1.594	-0.464	-0.895

	C1	N2	O3	H4	H5	H6
C1		1.4999	2.2637	1.1044	1.1055	1.1055
N2	1.4999		1.2188	2.1565	2.1073	2.1073
O3	2.2637	1.2188		2.3587	2.9808	2.9808
H4	1.1044	2.1565	2.3587		1.8305	1.8305
H5	1.1055	2.1073	2.9808	1.8305		1.7891
H6	1.1055	2.1073	2.9808	1.8305	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.335	N2	C1	H4	110.887
N2	C1	H5	106.984	N2	C1	H6	106.984
H4	C1	H5	111.852	H4	C1	H6	111.852
H5	C1	H6	108.026

All results from a given calculation for CH₃NO (nitrosomethane)

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

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)