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	hartrees
Energy at 0K	-168.180635
Energy at 298.15K	-168.184256
HF Energy	-167.861033
Nuclear repulsion energy	68.464164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3007	7.49
2	A'	3113	2909	1.43
3	A'	1576	1473	12.33
4	A'	1466	1370	3.21
5	A'	1394	1302	27.20
6	A'	1164	1087	14.70
7	A'	808	755	9.99
8	A'	559	522	2.61
9	A"	3193	2983	6.99
10	A"	1574	1470	11.12
11	A"	1028	960	1.36
12	A"	128	120	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.984	-0.567	0.000
N2	0.000	0.606	0.000
O3	1.193	0.199	0.000
H4	-0.431	-1.506	0.000
H5	-1.607	-0.463	0.889
H6	-1.607	-0.463	-0.889

	C1	N2	O3	H4	H5	H6
C1		1.5308	2.3080	1.0892	1.0914	1.0914
N2	1.5308		1.2605	2.1549	2.1250	2.1250
O3	2.3080	1.2605		2.3548	3.0122	3.0122
H4	1.0892	2.1549	2.3548		1.8067	1.8067
H5	1.0914	2.1250	3.0122	1.8067		1.7787
H6	1.0914	2.1250	3.0122	1.8067	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.184	N2	C1	H4	109.512
N2	C1	H5	107.081	N2	C1	H6	107.081
H4	C1	H5	111.893	H4	C1	H6	111.893
H5	C1	H6	109.153

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)