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	hartrees
Energy at 0K	-169.263969
Energy at 298.15K	-169.267704
HF Energy	-168.827824
Nuclear repulsion energy	70.604247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3020	9.52
2	A'	3147	2913	2.65
3	A'	1781	1649	51.55
4	A'	1545	1430	17.93
5	A'	1474	1364	13.92
6	A'	1224	1133	12.42
7	A'	941	871	7.88
8	A'	605	560	3.27
9	A"	3237	2996	6.58
10	A"	1542	1428	10.06
11	A"	1038	961	2.53
12	A"	151	140	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.944	-0.563	0.000
N2	0.000	0.572	0.000
O3	1.154	0.224	0.000
H4	-0.412	-1.512	0.000
H5	-1.576	-0.455	0.882
H6	-1.576	-0.455	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4765	2.2407	1.0883	1.0902	1.0902
N2	1.4765		1.2049	2.1250	2.0775	2.0775
O3	2.2407	1.2049		2.3384	2.9476	2.9476
H4	1.0883	2.1250	2.3384		1.8025	1.8025
H5	1.0902	2.0775	2.9476	1.8025		1.7645
H6	1.0902	2.0775	2.9476	1.8025	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.974	N2	C1	H4	110.985
N2	C1	H5	107.118	N2	C1	H6	107.118
H4	C1	H5	111.668	H4	C1	H6	111.668
H5	C1	H6	108.051

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)