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	hartrees
Energy at 0K	-168.210832
Energy at 298.15K	-168.214418
HF Energy	-167.858803
Nuclear repulsion energy	67.968052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3018	9.09
2	A'	3052	2919	2.17
3	A'	1550	1483	12.51
4	A'	1437	1375	4.24
5	A'	1342	1284	15.07
6	A'	1134	1085	11.89
7	A'	786	752	12.51
8	A'	549	526	1.96
9	A"	3131	2995	8.84
10	A"	1549	1481	9.57
11	A"	1006	962	1.28
12	A"	123	117	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.990	-0.567	0.000
N2	0.000	0.614	0.000
O3	1.201	0.192	0.000
H4	-0.436	-1.511	0.000
H5	-1.617	-0.463	0.894
H6	-1.617	-0.463	-0.894

	C1	N2	O3	H4	H5	H6
C1		1.5415	2.3194	1.0946	1.0965	1.0965
N2	1.5415		1.2736	2.1695	2.1384	2.1384
O3	2.3194	1.2736		2.3623	3.0281	3.0281
H4	1.0946	2.1695	2.3623		1.8143	1.8143
H5	1.0965	2.1384	3.0281	1.8143		1.7879
H6	1.0965	2.1384	3.0281	1.8143	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.595	N2	C1	H4	109.607
N2	C1	H5	107.105	N2	C1	H6	107.105
H4	C1	H5	111.792	H4	C1	H6	111.792
H5	C1	H6	109.224

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)