%nprocshared=24
%mem=120GB
#p opt freq=NoRaman B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=dichloromethane) int=(grid=ultrafine)

Cat_NH_Si_t_v6 from MECP

0 3
 29	-0.643084120	-0.394154750	-1.581300170
 7	 1.317314470	-1.280824570	-2.510916750
 7	 2.457817540	-0.840944340	-1.907351200
 7	 0.355811880	 1.422849650	-1.416275330
 7	 1.654940480	 1.402588600	-1.001475000
 7	 0.225346580	-1.006962520	 0.214145270
 7	 1.532206910	-0.672040470	 0.430846270
 5	 2.363791130	 0.067600720	-0.658176460
 6	 1.682947500	-2.178733330	-3.415474660
 6	 3.083178150	-2.345231890	-3.429776990
 6	 3.533119130	-1.469070120	-2.447068270
 6	 0.032149460	 2.694716750	-1.648606810
 6	 1.124171850	 3.537918360	-1.378747780
 6	 2.134402120	 2.668032650	-0.972092630
 6	-0.183103120	-1.707427620	 1.273362170
 6	 0.856002040	-1.837055170	 2.211553220
 6	 1.927277250	-1.164067680	 1.627728980
 1	 3.445622410	 0.294066760	-0.242036610
 7	-1.896607230	-0.616441210	-2.967299950
 16	-3.541623160	-0.367182580	-3.107821570
 8	-4.062928490	-1.435069290	-3.983816420
 8	-3.826580650	 1.031053480	-3.481657780
 6	-4.131857380	-0.639841730	-1.444804960
 6	-4.731075520	-1.857719930	-1.129808900
 6	-4.033871580	 0.389288640	-0.502290250
 6	-5.239095510	-2.046069990	 0.156734450
 1	-4.808321710	-2.638057400	-1.879159970
 6	-4.539645070	 0.180059470	 0.776629330
 1	-3.582516240	 1.337882970	-0.771296920
 6	-5.151916330	-1.036685730	 1.125388940
 1	-5.715489980	-2.989851580	 0.406720100
 1	-4.466270020	 0.973459770	 1.515792830
 6	-5.681917080	-1.248535040	 2.520379640
 1	-4.865412010	-1.236891470	 3.252494360
 1	-6.376267110	-0.450385080	 2.804330700
 1	-6.203517540	-2.205064340	 2.611775040
 35	-1.935989620	-2.380229580	 1.384647560
 35	-1.663949220	 3.148249860	-2.305918100
 35	 0.403759650	-3.054812710	-4.490373180
 35	 4.110802190	-3.453388350	-4.551851080
 35	 5.309009240	-1.133024210	-1.923223320
 35	 3.658884650	-0.941524220	 2.328800680
 35	 0.811385950	-2.714610650	 3.874918540
 35	 1.219936680	 5.404943880	-1.584208660
 35	 3.894686880	 3.106860420	-0.480852290
 1	-1.517906080	-0.610695870	-3.935824420
 14	-0.688719900	 0.413973150	-6.068715930
 6	-1.893266910	 1.857083560	-6.251631510
 6	-0.612458590	-0.691294140	-7.599683500
 6	 1.012022530	 0.976455460	-5.516160100
 1	-2.871032850	 1.496246810	-6.587048850
 1	-2.044785980	 2.370844110	-5.298597320
 1	-1.528167470	 2.587161480	-6.986042080
 1	 0.081414080	-1.526016970	-7.459516220
 1	-1.601405440	-1.108702740	-7.818814590
 1	-0.284264210	-0.124165330	-8.480663420
 6	 1.198032350	 2.195650210	-4.829646700
 6	 2.149863570	 0.170377290	-5.732821090
 6	 2.460804950	 2.591237170	-4.386474830
 1	 0.349268140	 2.849701720	-4.649359810
 6	 3.411782990	 0.559348950	-5.284015840
 1	 2.050253540	-0.774130970	-6.261163920
 6	 3.571501120	 1.771793800	-4.606536020
 1	 2.581907430	 3.541514450	-3.875113640
 1	 4.270737980	-0.080416230	-5.464999130
 1	 4.554063380	 2.078575920	-4.259286910

-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C -N -H -B -O -S -Si 0
6-31G(d,p)
****

-Cu -Br 0
LANL2DZ


