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	hartrees
Energy at 0K	-169.382555
Energy at 298.15K	-169.386196
HF Energy	-168.839100
Nuclear repulsion energy	69.604410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3179	3068
2	A'	3052	2945
3	A'	1529	1476
4	A'	1447	1397
5	A'	1361	1314
6	A'	1139	1099
7	A'	856	826
8	A'	571	551
9	A"	3162	3052
10	A"	1456	1406
11	A"	959	926
12	A"	135	130

Atom	x (Å)	y (Å)	z (Å)
C1	-0.957	-0.566	0.000
N2	0.000	0.585	0.000
O3	1.169	0.217	0.000
H4	-0.417	-1.528	0.000
H5	-1.597	-0.454	0.893
H6	-1.597	-0.454	-0.893

	C1	N2	O3	H4	H5	H6
C1		1.4971	2.2665	1.1035	1.1044	1.1044
N2	1.4971		1.2257	2.1539	2.1041	2.1041
O3	2.2665	1.2257		2.3590	2.9835	2.9835
H4	1.1035	2.1539	2.3590		1.8288	1.8288
H5	1.1044	2.1041	2.9835	1.8288		1.7867
H6	1.1044	2.1041	2.9835	1.8288	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.314	N2	C1	H4	110.932
N2	C1	H5	106.990	N2	C1	H6	106.990
H4	C1	H5	111.848	H4	C1	H6	111.848
H5	C1	H6	107.975

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP4=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: MP4=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)