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	hartrees
Energy at 0K	-167.328461
Energy at 298.15K	-167.331968
HF Energy	-167.256298
Nuclear repulsion energy	66.743039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3526	3526	0.81
2	A'	3326	3326	2.18
3	A'	1663	1663	5.56
4	A'	1533	1533	3.81
5	A'	1487	1487	7.66
6	A'	1158	1158	16.96
7	A'	890	890	15.67
8	A'	524	524	0.07
9	A"	3521	3521	0.00
10	A"	1659	1659	4.50
11	A"	1010	1010	0.22
12	A"	139	139	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.003	-0.591	0.000
N2	0.000	0.638	0.000
O3	1.219	0.205	0.000
H4	-0.458	-1.550	0.000
H5	-1.636	-0.503	0.898
H6	-1.636	-0.503	-0.898

	C1	N2	O3	H4	H5	H6
C1		1.5865	2.3602	1.1026	1.1022	1.1022
N2	1.5865		1.2934	2.2353	2.1872	2.1872
O3	2.3602	1.2934		2.4272	3.0750	3.0750
H4	1.1026	2.2353	2.4272		1.8137	1.8137
H5	1.1022	2.1872	3.0750	1.8137		1.7965
H6	1.1022	2.1872	3.0750	1.8137	1.7965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	109.652	N2	C1	H4	111.170
N2	C1	H5	107.504	N2	C1	H6	107.504
H4	C1	H5	110.690	H4	C1	H6	110.690
H5	C1	H6	109.165

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)