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	hartrees
Energy at 0K	-169.517533
Energy at 298.15K	-169.521237
HF Energy	-168.893093
Nuclear repulsion energy	70.512911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3028	9.26
2	A'	3058	2922	3.45
3	A'	1663	1589	53.23
4	A'	1480	1414	21.42
5	A'	1401	1338	12.93
6	A'	1173	1120	15.80
7	A'	885	845	12.45
8	A'	585	559	2.25
9	A"	3148	3008	5.21
10	A"	1483	1417	9.49
11	A"	996	952	3.29
12	A"	151	144	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.945	-0.570	0.000
N2	0.000	0.573	0.000
O3	1.154	0.231	0.000
H4	-0.410	-1.518	0.000
H5	-1.577	-0.461	0.881
H6	-1.577	-0.461	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4828	2.2466	1.0883	1.0897	1.0897
N2	1.4828		1.2038	2.1306	2.0815	2.0815
O3	2.2466	1.2038		2.3463	2.9519	2.9519
H4	1.0883	2.1306	2.3463		1.8035	1.8035
H5	1.0897	2.0815	2.9519	1.8035		1.7627
H6	1.0897	2.0815	2.9519	1.8035	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.074	N2	C1	H4	110.991
N2	C1	H5	107.030	N2	C1	H6	107.030
H4	C1	H5	111.792	H4	C1	H6	111.792
H5	C1	H6	107.953

All results from a given calculation for CH₃NO (nitrosomethane)

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

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)