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	hartrees
Energy at 0K	-169.381435
Energy at 298.15K	-169.385063
HF Energy	-168.840373
Nuclear repulsion energy	69.766164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3174	3044
2	A'	3047	2922
3	A'	1607	1541
4	A'	1448	1389
5	A'	1364	1308
6	A'	1141	1094
7	A'	854	819
8	A'	574	551
9	A"	3154	3025
10	A"	1457	1397
11	A"	961	922
12	A"	125	120

Atom	x (Å)	y (Å)	z (Å)
C1	-0.953	-0.572	0.000
N2	0.000	0.584	0.000
O3	1.164	0.225	0.000
H4	-0.408	-1.531	0.000
H5	-1.593	-0.463	0.894
H6	-1.593	-0.463	-0.894

	C1	N2	O3	H4	H5	H6
C1		1.4982	2.2623	1.1034	1.1045	1.1045
N2	1.4982		1.2182	2.1546	2.1052	2.1052
O3	2.2623	1.2182		2.3576	2.9788	2.9788
H4	1.1034	2.1546	2.3576		1.8286	1.8286
H5	1.1045	2.1052	2.9788	1.8286		1.7872
H6	1.1045	2.1052	2.9788	1.8286	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.366	N2	C1	H4	110.914
N2	C1	H5	106.995	N2	C1	H6	106.995
H4	C1	H5	111.838	H4	C1	H6	111.838
H5	C1	H6	108.006

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)