%chk=000172859.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172859

0 1
 S   -6.782600       2.044700     -5.7500001E-02
 S    4.223700      -1.106500      -1.234100    
 O   -5.649000       2.882600     -0.8780000    
 O   -7.227200       2.841700       1.070800    
 O   -7.724200       1.480900      -1.007300    
 N   -4.328500      -1.149700     -6.4199999E-02
 N    1.138100     -8.4100001E-02  0.5235000    
 N    1.792300     -0.3944000     -0.5179000    
 N    3.627500      0.8358000      0.3548000    
 C   -5.217800     -0.1317000     -0.5874000    
 C   -2.951200     -0.8858000      8.6099997E-02
 C   -4.874900      -2.437200      0.3157000    
 C   -5.730800      0.7548000      0.5328000    
 C   -2.105000      -1.867100      0.6024000    
 C   -2.435100      0.3566000     -0.2825000    
 C  -0.7427000      -1.606000      0.7503000    
 C   -4.632300      -3.452600     -0.7843000    
 C  -0.2317000     -0.3646000      0.3813000    
 C   -1.072800      0.6176000     -0.1346000    
 C   0.1440000      -2.671800       1.306300    
 C    5.527400     -0.1873000     -0.5796000    
 C    5.010700      0.8120000      0.2508000    
 C    7.775800      0.5413000     -0.1358000    
 C    6.907900     -0.3396000     -0.7861000    
 C    3.114800     -0.1232000     -0.3802000    
 C    5.909800       1.688600      0.8959000    
 C    7.285400       1.542900      0.6948000    
 C    9.248500      0.4023000     -0.3363000    
 H   -6.080100     -0.6273000      -1.054800    
 H   -4.781800      0.4337000      -1.417900    
 H   -4.504300      -2.786500       1.285900    
 H   -5.960200      -2.349700      0.4584000    
 H   -4.920300       1.227100       1.097300    
 H   -6.323700      0.1691000       1.244500    
 H   -2.459400      -2.846200      0.9048000    
 H   -3.039000       1.167200     -0.6739000    
 H   -5.089900      -3.125500      -1.724600    
 H   -3.570700      -3.625100     -0.9812000    
 H   -5.080400      -4.413900     -0.5123000    
 H  -0.6798000       1.589800     -0.4202000    
 H   0.8225000      -3.043700      0.5318000    
 H   0.7321000      -2.286200       2.145900    
 H  -0.4289000      -3.525800       1.683800    
 H   -4.976700       3.343300     -0.3229000    
 H    7.287400      -1.124500      -1.434000    
 H    5.537400       2.474200       1.547300    
 H    7.965500       2.224300       1.200200    
 H    9.750800       1.373000     -0.2633000    
 H    9.668600     -0.2681000      0.4202000    
 H    9.476500     -1.5000000E-03  -1.328700    


%chk=000172859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172859

0 1
S -6.373821 2.315877 -1.006233
S 3.873541 1.786055 -0.951137
O -4.799587 2.448370 -2.026490
O -6.659308 3.718482 -0.253866
O -7.536894 1.630926 -1.900944
N -4.475330 -1.200865 0.180381
N 1.176092 -0.768005 0.449391
N 1.743161 0.251379 -0.179508
N 4.016001 -0.525595 0.462594
C -5.286184 -0.299886 -0.650733
C -3.078435 -1.073620 0.226042
C -5.193841 -2.282027 0.895966
C -5.568650 0.991128 0.146372
C -2.276284 -2.006516 0.957417
C -2.411362 0.002258 -0.456265
C -0.876469 -1.896294 1.029384
C -5.244404 -3.607505 0.102892
C -0.228913 -0.813625 0.340590
C -1.022881 0.117958 -0.395899
C -0.063537 -2.905669 1.814419
C 5.483862 1.150197 -0.450006
C 5.327818 -0.079371 0.284730
C 7.905450 1.035320 -0.207530
C 6.756708 1.703465 -0.694223
C 3.133717 0.291737 -0.094664
C 6.485429 -0.742813 0.769274
C 7.748870 -0.185388 0.521747
C 9.293700 1.598680 -0.453247
H -6.235645 -0.795123 -0.913541
H -4.773413 -0.057412 -1.596105
H -4.728464 -2.437453 1.885636
H -6.223386 -1.929148 1.091093
H -4.658112 1.498282 0.497594
H -6.303315 0.868716 0.958841
H -2.746068 -2.848058 1.473744
H -2.973594 0.746335 -1.029457
H -5.760866 -3.469331 -0.863855
H -4.229498 -3.986684 -0.105412
H -5.792457 -4.376616 0.677100
H -0.508012 0.934010 -0.912354
H 0.694723 -3.386501 1.172791
H 0.500441 -2.412218 2.625271
H -0.711154 -3.684299 2.253355
H -4.926108 3.163530 -2.712525
H 6.866543 2.638564 -1.253101
H 6.365928 -1.676147 1.327294
H 8.645075 -0.694910 0.895338
H 9.825333 1.783016 0.499401
H 9.913872 0.893000 -1.037991
H 9.255430 2.551695 -1.007570


