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	hartrees
Energy at 0K	-169.307033
Energy at 298.15K	-169.310750
HF Energy	-168.826809
Nuclear repulsion energy	70.338012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3023	8.43
2	A'	3105	2915	1.92
3	A'	1749	1642	36.49
4	A'	1521	1427	16.64
5	A'	1444	1355	16.93
6	A'	1200	1126	11.71
7	A'	923	866	9.76
8	A'	599	562	2.95
9	A"	3196	3000	5.35
10	A"	1517	1424	10.38
11	A"	1016	954	2.07
12	A"	150	141	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.947	-0.562	0.000
N2	0.000	0.578	0.000
O3	1.157	0.219	0.000
H4	-0.413	-1.515	0.000
H5	-1.581	-0.453	0.885
H6	-1.581	-0.453	-0.885

	C1	N2	O3	H4	H5	H6
C1		1.4818	2.2445	1.0922	1.0940	1.0940
N2	1.4818		1.2116	2.1327	2.0841	2.0841
O3	2.2445	1.2116		2.3390	2.9547	2.9547
H4	1.0922	2.1327	2.3390		1.8094	1.8094
H5	1.0940	2.0841	2.9547	1.8094		1.7705
H6	1.0940	2.0841	2.9547	1.8094	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.507	N2	C1	H4	110.998
N2	C1	H5	107.062	N2	C1	H6	107.062
H4	C1	H5	111.719	H4	C1	H6	111.719
H5	C1	H6	108.039

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)