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	hartrees
Energy at 0K	-169.358598
Energy at 298.15K	-169.362271
HF Energy	-168.841625
Nuclear repulsion energy	69.979428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3053	9.97
2	A'	3060	2936	4.45
3	A'	1667	1599	51.50
4	A'	1459	1400	16.71
5	A'	1379	1323	11.55
6	A'	1155	1108	17.28
7	A'	870	835	14.04
8	A'	582	559	1.73
9	A"	3164	3036	7.12
10	A"	1464	1404	8.23
11	A"	975	935	3.28
12	A"	141	135	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.949	-0.575	0.000
N2	0.000	0.581	0.000
O3	1.159	0.231	0.000
H4	-0.403	-1.533	0.000
H5	-1.589	-0.467	0.893
H6	-1.589	-0.467	-0.893

	C1	N2	O3	H4	H5	H6
C1		1.4954	2.2571	1.1031	1.1041	1.1041
N2	1.4954		1.2111	2.1520	2.1029	2.1029
O3	2.2571	1.2111		2.3563	2.9731	2.9731
H4	1.1031	2.1520	2.3563		1.8277	1.8277
H5	1.1041	2.1029	2.9731	1.8277		1.7868
H6	1.1041	2.1029	2.9731	1.8277	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.599	N2	C1	H4	110.924
N2	C1	H5	107.026	N2	C1	H6	107.026
H4	C1	H5	111.793	H4	C1	H6	111.793
H5	C1	H6	108.030

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)