%chk=000118509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118509

0 1
S 1.102783 3.316930 0.789174
O -0.105866 -1.583381 -1.261908
O -1.259437 3.615667 -0.337579
N 0.506586 -0.589609 0.780446
N -0.848638 0.583829 -0.691101
C 0.392629 0.774292 1.376645
C -0.795542 1.391110 0.562044
C 1.645678 1.643001 1.228550
C -0.139099 -0.651276 -0.487066
C -0.526103 2.846512 0.198952
C 1.615489 -1.505035 1.127321
C -2.130209 0.564504 -1.440860
C 2.941233 -1.168046 0.485250
C -3.277495 -0.034230 -0.664189
C 4.031443 -0.784956 1.279290
C 3.090607 -1.263365 -0.905970
C -3.360704 -1.425253 -0.503370
C -4.258907 0.794412 -0.103854
C 5.261274 -0.492365 0.682277
C 4.320163 -0.965389 -1.497965
C -4.422327 -1.981723 0.213541
C -5.320548 0.232142 0.611640
C 5.406609 -0.578802 -0.705785
C -5.403391 -1.154425 0.771539
H 0.120680 0.662679 2.455685
H -1.752926 1.338206 1.146857
H 2.242039 1.678242 2.157587
H 2.326378 1.266773 0.433083
H 1.301368 -2.533400 0.805612
H 1.697509 -1.533305 2.237937
H -1.950697 -0.011640 -2.384120
H -2.347999 1.616278 -1.750075
H 3.928715 -0.720189 2.360370
H 2.242757 -1.573816 -1.525499
H -2.592466 -2.069958 -0.938503
H -4.202677 1.875233 -0.230440
H 6.107959 -0.198033 1.300416
H 4.431933 -1.037277 -2.579468
H -4.486676 -3.062045 0.335916
H -6.085049 0.876715 1.042627
H 6.364360 -0.348513 -1.169340
H -6.231438 -1.590497 1.327437


%chk=000118509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118509

0 1
S 0.852230 3.474996 0.576402
O -0.173216 -1.706817 -1.294769
O -1.863660 3.404407 0.135700
N 0.695036 -0.569871 0.610541
N -0.974673 0.418967 -0.559127
C 0.561589 0.768141 1.203492
C -0.828428 1.223542 0.670522
C 1.655624 1.768591 0.703620
C -0.151359 -0.724154 -0.500318
C -0.843515 2.742546 0.405086
C 1.728942 -1.555271 0.956223
C -2.203550 0.435154 -1.382634
C 3.135698 -1.199205 0.474306
C -3.434820 -0.057456 -0.624103
C 4.181578 -0.950819 1.395544
C 3.406811 -1.117833 -0.916984
C -3.672146 -1.449687 -0.480071
C -4.339053 0.863530 -0.036917
C 5.479413 -0.618241 0.939783
C 4.700124 -0.784512 -1.373869
C -4.797934 -1.911667 0.236753
C -5.466544 0.400703 0.680861
C 5.740143 -0.531109 -0.446450
C -5.698720 -0.987269 0.818417
H 0.571911 0.725251 2.306587
H -1.652584 1.007450 1.382089
H 2.506388 1.840572 1.395887
H 2.014020 1.487120 -0.297272
H 1.398479 -2.501120 0.487640
H 1.726667 -1.699554 2.053760
H -1.987069 -0.219970 -2.244593
H -2.359138 1.462665 -1.753910
H 3.984758 -1.023786 2.473187
H 2.601370 -1.326513 -1.631908
H -2.971117 -2.161914 -0.932363
H -4.155398 1.939959 -0.142211
H 6.281837 -0.430222 1.662062
H 4.900852 -0.728342 -2.449620
H -4.977747 -2.988140 0.336322
H -6.161841 1.120378 1.127663
H 6.744142 -0.274121 -0.802155
H -6.575103 -1.346382 1.369932


