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	hartrees
Energy at 0K	-169.459711
Energy at 298.15K	-169.463420
HF Energy	-168.845767
Nuclear repulsion energy	70.577275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3029	6.67
2	A'	3100	2919	2.04
3	A'	1697	1598	41.93
4	A'	1502	1414	18.59
5	A'	1423	1340	13.06
6	A'	1188	1119	11.84
7	A'	905	852	11.08
8	A'	592	558	2.49
9	A"	3195	3008	3.56
10	A"	1502	1414	8.66
11	A"	1012	953	1.77
12	A"	147	138	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.943	-0.567	0.000
N2	0.000	0.574	0.000
O3	1.153	0.227	0.000
H4	-0.409	-1.515	0.000
H5	-1.576	-0.461	0.881
H6	-1.576	-0.461	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4802	2.2411	1.0885	1.0899	1.0899
N2	1.4802		1.2038	2.1286	2.0812	2.0812
O3	2.2411	1.2038		2.3393	2.9487	2.9487
H4	1.0885	2.1286	2.3393		1.8028	1.8028
H5	1.0899	2.0812	2.9487	1.8028		1.7622
H6	1.0899	2.0812	2.9487	1.8028	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.826	N2	C1	H4	111.006
N2	C1	H5	107.163	N2	C1	H6	107.163
H4	C1	H5	111.697	H4	C1	H6	111.697
H5	C1	H6	107.879

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)