%chk=000199123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199123

0 1
S -2.838170 -1.368236 -1.519084
N 2.622573 1.119857 -0.233452
N -1.116395 0.120677 0.589874
C 3.447030 2.363692 -0.073944
C 3.422082 0.027484 -0.883242
C 4.674983 2.068445 0.803450
C 4.651349 -0.303898 -0.020754
C 5.521545 0.939043 0.203295
C 1.377469 1.398949 -1.025115
C 0.320439 2.059371 -0.123937
C -0.120947 1.144063 1.028397
C -0.637729 -1.138219 0.130316
C -2.472549 0.528865 0.452340
C -1.383112 -1.951687 -0.745596
C -3.373444 -0.125848 -0.411565
C 0.601427 -1.633839 0.601340
C -2.966490 1.594476 1.240959
C -0.952621 -3.232104 -1.093968
C -4.719301 0.233131 -0.467760
C 1.037756 -2.903860 0.234512
C -4.308333 1.963697 1.165970
C 0.263443 -3.713972 -0.604560
C -5.192070 1.287143 0.319029
H 2.812149 3.130711 0.420176
H 3.772559 2.789758 -1.047420
H 3.743011 0.285877 -1.914879
H 2.768864 -0.870819 -0.958711
H 4.339952 1.781615 1.820132
H 5.279104 2.986060 0.919408
H 5.238282 -1.105744 -0.503792
H 4.316619 -0.704145 0.956912
H 5.971459 1.266628 -0.752823
H 6.366351 0.697544 0.874109
H 1.560662 2.038099 -1.914984
H 0.970688 0.436293 -1.411548
H 0.720098 3.001035 0.302012
H -0.552766 2.349900 -0.741926
H -0.563481 1.747864 1.853755
H 0.773586 0.630615 1.466335
H 1.226928 -1.009187 1.246786
H -2.300166 2.124828 1.920993
H -1.559242 -3.856027 -1.753173
H -5.404780 -0.300899 -1.128931
H 1.992411 -3.271312 0.611157
H -4.671733 2.787367 1.780720
H 0.605550 -4.709283 -0.874447
H -6.238442 1.576594 0.272638


%chk=000199123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199123

0 1
S -1.906915 -1.287628 -1.895485
N 2.443740 1.423823 -0.348255
N -0.850130 0.084246 0.627618
C 3.461679 2.403832 0.106467
C 2.961579 0.579054 -1.455992
C 4.740308 1.692101 0.595894
C 4.220508 -0.195076 -1.014279
C 5.312810 0.776024 -0.509901
C 1.133920 2.050696 -0.656123
C 0.298430 2.324704 0.615937
C 0.009323 1.020238 1.393594
C -0.480840 -1.293695 0.532540
C -2.172828 0.488348 0.271399
C -0.939848 -2.089681 -0.554588
C -2.837043 -0.108329 -0.837260
C 0.331876 -1.921712 1.516231
C -2.874782 1.481971 1.007927
C -0.609431 -3.455132 -0.655981
C -4.155721 0.246698 -1.180578
C 0.698088 -3.279339 1.394003
C -4.182254 1.867261 0.640932
C 0.229925 -4.055631 0.310683
C -4.833629 1.250206 -0.449999
H 3.033115 3.012389 0.924212
H 3.730828 3.110863 -0.724233
H 3.212384 1.200118 -2.357217
H 2.164942 -0.128114 -1.751623
H 4.490300 1.083644 1.486909
H 5.488313 2.448397 0.903700
H 4.596275 -0.800925 -1.861262
H 3.937931 -0.892079 -0.201493
H 5.668051 1.400320 -1.356258
H 6.188984 0.214529 -0.133511
H 1.254446 3.002587 -1.230973
H 0.563290 1.354904 -1.299070
H 0.840545 3.011723 1.295483
H -0.638715 2.835582 0.326879
H -0.417274 1.241269 2.394378
H 0.986521 0.531082 1.535267
H 0.670456 -1.352754 2.386784
H -2.400777 1.952261 1.874339
H -0.995166 -4.039860 -1.498055
H -4.641449 -0.248167 -2.028397
H 1.336196 -3.733414 2.160143
H -4.694803 2.643526 1.219835
H 0.504257 -5.111486 0.219525
H -5.850814 1.541227 -0.731143


