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	hartrees
Energy at 0K	-169.375407
Energy at 298.15K	-169.379050
HF Energy	-168.840312
Nuclear repulsion energy	69.765862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3169	3169
2	A'	3044	3044
3	A'	1613	1613
4	A'	1448	1448
5	A'	1365	1365
6	A'	1142	1142
7	A'	862	862
8	A'	576	576
9	A"	3149	3149
10	A"	1453	1453
11	A"	964	964
12	A"	131	131

Atom	x (Å)	y (Å)	z (Å)
C1	-0.953	-0.571	0.000
N2	0.000	0.584	0.000
O3	1.164	0.224	0.000
H4	-0.408	-1.532	0.000
H5	-1.593	-0.462	0.894
H6	-1.593	-0.462	-0.894

	C1	N2	O3	H4	H5	H6
C1		1.4976	2.2611	1.1042	1.1054	1.1054
N2	1.4976		1.2184	2.1553	2.1057	2.1057
O3	2.2611	1.2184		2.3570	2.9788	2.9788
H4	1.1042	2.1553	2.3570		1.8297	1.8297
H5	1.1054	2.1057	2.9788	1.8297		1.7885
H6	1.1054	2.1057	2.9788	1.8297	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.309	N2	C1	H4	110.959
N2	C1	H5	107.018	N2	C1	H6	107.018
H4	C1	H5	111.803	H4	C1	H6	111.803
H5	C1	H6	107.988

All results from a given calculation for CH₃NO (nitrosomethane)

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

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)