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	hartrees
Energy at 0K	-169.390694
Energy at 298.15K	-169.394417
HF Energy	-168.856930
Nuclear repulsion energy	70.317063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3186	9.97
2	A'	3068	3068	3.12
3	A'	1740	1740	49.63
4	A'	1461	1461	18.40
5	A'	1391	1391	13.22
6	A'	1173	1173	14.05
7	A'	906	906	11.95
8	A'	590	590	2.61
9	A"	3164	3164	5.13
10	A"	1461	1461	10.23
11	A"	989	989	3.43
12	A"	157	157	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.945	-0.572	0.000
N2	0.000	0.574	0.000
O3	1.155	0.233	0.000
H4	-0.407	-1.531	0.000
H5	-1.584	-0.460	0.889
H6	-1.584	-0.460	-0.889

	C1	N2	O3	H4	H5	H6
C1		1.4856	2.2492	1.0995	1.1008	1.1008
N2	1.4856		1.2045	2.1443	2.0903	2.0903
O3	2.2492	1.2045		2.3565	2.9621	2.9621
H4	1.0995	2.1443	2.3565		1.8228	1.8228
H5	1.1008	2.0903	2.9621	1.8228		1.7789
H6	1.1008	2.0903	2.9621	1.8228	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.048	N2	C1	H4	111.214
N2	C1	H5	106.898	N2	C1	H6	106.898
H4	C1	H5	111.875	H4	C1	H6	111.875
H5	C1	H6	107.801

All results from a given calculation for CH₃NO (nitrosomethane)

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

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)