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	hartrees
Energy at 0K	-169.694402
Energy at 298.15K
HF Energy	-169.509505
Nuclear repulsion energy	70.327346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3169	13.46
2	A'	3055	3055	3.57
3	A'	1617	1617	51.24
4	A'	1486	1486	28.89
5	A'	1403	1403	29.37
6	A'	1173	1173	18.82
7	A'	864	864	20.35
8	A'	585	585	1.45
9	A"	3147	3147	6.58
10	A"	1485	1485	13.37
11	A"	997	997	3.28
12	A"	148	148	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.949	-0.568	0.000
N2	0.000	0.572	0.000
O3	1.159	0.229	0.000
H4	-0.418	-1.521	0.000
H5	-1.582	-0.454	0.882
H6	-1.582	-0.454	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4837	2.2536	1.0903	1.0917	1.0917
N2	1.4837		1.2090	2.1349	2.0815	2.0815
O3	2.2536	1.2090		2.3560	2.9591	2.9591
H4	1.0903	2.1349	2.3560		1.8085	1.8085
H5	1.0917	2.0815	2.9591	1.8085		1.7641
H6	1.0917	2.0815	2.9591	1.8085	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.234	N2	C1	H4	111.152
N2	C1	H5	106.854	N2	C1	H6	106.854
H4	C1	H5	111.951	H4	C1	H6	111.951
H5	C1	H6	107.789

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)