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	hartrees
Energy at 0K	-169.514386
Energy at 298.15K	-169.518097
HF Energy	-168.893841
Nuclear repulsion energy	70.286082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3038	6.66
2	A'	3065	2920	2.05
3	A'	1538	1466	15.86
4	A'	1473	1404	26.08
5	A'	1389	1324	24.04
6	A'	1165	1110	14.10
7	A'	897	855	15.18
8	A'	581	554	1.82
9	A"	3169	3020	1.51
10	A"	1480	1411	11.67
11	A"	988	942	3.08
12	A"	157	150	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.953	-0.552	0.000
N2	0.000	0.572	0.000
O3	1.165	0.209	0.000
H4	-0.434	-1.508	0.000
H5	-1.583	-0.430	0.880
H6	-1.583	-0.430	-0.880

	C1	N2	O3	H4	H5	H6
C1		1.4735	2.2499	1.0884	1.0896	1.0896
N2	1.4735		1.2200	2.1254	2.0705	2.0705
O3	2.2499	1.2200		2.3461	2.9554	2.9554
H4	1.0884	2.1254	2.3461		1.8051	1.8051
H5	1.0896	2.0705	2.9554	1.8051		1.7607
H6	1.0896	2.0705	2.9554	1.8051	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.963	N2	C1	H4	111.229
N2	C1	H5	106.813	N2	C1	H6	106.813
H4	C1	H5	111.949	H4	C1	H6	111.949
H5	C1	H6	107.795

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2/aug-cc-pVTZ

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: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)