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	hartrees
Energy at 0K	-169.609015
Energy at 298.15K	-169.612718
HF Energy	-168.895395
Nuclear repulsion energy	70.460002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3144	3144
2	A'	3049	3049
3	A'	1599	1599
4	A'	1477	1477
5	A'	1394	1394
6	A'	1165	1165
7	A'	878	878
8	A'	581	581
9	A"	3124	3124
10	A"	1486	1486
11	A"	996	996
12	A"	153	153

Atom	x (Å)	y (Å)	z (Å)
C1	-0.948	-0.562	0.000
N2	0.000	0.572	0.000
O3	1.158	0.222	0.000
H4	-0.419	-1.513	0.000
H5	-1.577	-0.448	0.882
H6	-1.577	-0.448	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4779	2.2474	1.0885	1.0898	1.0898
N2	1.4779		1.2094	2.1265	2.0753	2.0753
O3	2.2474	1.2094		2.3450	2.9513	2.9513
H4	1.0885	2.1265	2.3450		1.8041	1.8041
H5	1.0898	2.0753	2.9513	1.8041		1.7649
H6	1.0898	2.0753	2.9513	1.8041	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.129	N2	C1	H4	111.001
N2	C1	H5	106.873	N2	C1	H6	106.873
H4	C1	H5	111.843	H4	C1	H6	111.843
H5	C1	H6	108.143

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

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)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)