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	hartrees
Energy at 0K	-169.430622
Energy at 298.15K	-169.434317
HF Energy	-168.886828
Nuclear repulsion energy	70.288196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3038	11.42
2	A'	3067	2930	4.39
3	A'	1641	1568	56.40
4	A'	1487	1420	19.54
5	A'	1424	1360	13.64
6	A'	1179	1126	17.17
7	A'	879	840	13.26
8	A'	588	562	1.85
9	A"	3162	3020	7.72
10	A"	1487	1420	10.00
11	A"	1005	960	5.67
12	A"	144	137	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.948	-0.572	0.000
N2	0.000	0.575	0.000
O3	1.158	0.232	0.000
H4	-0.415	-1.523	0.000
H5	-1.579	-0.463	0.884
H6	-1.579	-0.463	-0.884

	C1	N2	O3	H4	H5	H6
C1		1.4887	2.2544	1.0904	1.0913	1.0913
N2	1.4887		1.2078	2.1391	2.0865	2.0865
O3	2.2544	1.2078		2.3563	2.9588	2.9588
H4	1.0904	2.1391	2.3563		1.8055	1.8055
H5	1.0913	2.0865	2.9588	1.8055		1.7679
H6	1.0913	2.0865	2.9588	1.8055	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.034	N2	C1	H4	111.130
N2	C1	H5	106.932	N2	C1	H6	106.932
H4	C1	H5	111.701	H4	C1	H6	111.701
H5	C1	H6	108.196

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)