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	hartrees
Energy at 0K	-168.176413
Energy at 298.15K	-168.180057
HF Energy	-167.861603
Nuclear repulsion energy	68.630556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3001	7.76
2	A'	3118	2905	1.39
3	A'	1579	1471	12.88
4	A'	1479	1378	1.45
5	A'	1418	1321	25.38
6	A'	1171	1091	13.17
7	A'	822	766	9.32
8	A'	564	526	2.81
9	A"	3197	2978	7.12
10	A"	1576	1468	11.18
11	A"	1033	962	1.36
12	A"	132	123	1.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.980	-0.567	0.000
N2	0.000	0.604	0.000
O3	1.190	0.201	0.000
H4	-0.429	-1.507	0.000
H5	-1.605	-0.463	0.889
H6	-1.605	-0.463	-0.889

	C1	N2	O3	H4	H5	H6
C1		1.5265	2.3018	1.0893	1.0913	1.0913
N2	1.5265		1.2561	2.1534	2.1221	2.1221
O3	2.3018	1.2561		2.3533	3.0068	3.0068
H4	1.0893	2.1534	2.3533		1.8054	1.8054
H5	1.0913	2.1221	3.0068	1.8054		1.7778
H6	1.0913	2.1221	3.0068	1.8054	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.257	N2	C1	H4	109.685
N2	C1	H5	107.145	N2	C1	H6	107.145
H4	C1	H5	111.785	H4	C1	H6	111.785
H5	C1	H6	109.084

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)