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	hartrees
Energy at 0K	-169.352897
Energy at 298.15K	-169.356614
HF Energy	-168.843399
Nuclear repulsion energy	70.439914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3021	9.17
2	A'	3091	2906	3.29
3	A'	1769	1663	43.25
4	A'	1468	1381	15.97
5	A'	1393	1310	13.25
6	A'	1173	1103	15.68
7	A'	908	854	11.83
8	A'	597	561	2.39
9	A"	3194	3003	5.88
10	A"	1470	1382	9.27
11	A"	986	927	2.96
12	A"	153	144	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.940	-0.573	0.000
N2	0.000	0.577	0.000
O3	1.150	0.233	0.000
H4	-0.398	-1.530	0.000
H5	-1.581	-0.468	0.890
H6	-1.581	-0.468	-0.890

	C1	N2	O3	H4	H5	H6
C1		1.4853	2.2405	1.1005	1.1016	1.1016
N2	1.4853		1.2008	2.1447	2.0940	2.0940
O3	2.2405	1.2008		2.3465	2.9572	2.9572
H4	1.1005	2.1447	2.3465		1.8221	1.8221
H5	1.1016	2.0940	2.9572	1.8221		1.7796
H6	1.1016	2.0940	2.9572	1.8221	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.615	N2	C1	H4	111.200
N2	C1	H5	107.153	N2	C1	H6	107.153
H4	C1	H5	111.669	H4	C1	H6	111.669
H5	C1	H6	107.754

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3=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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)