%chk=000116121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116121

0 1
 S   -7.175100      0.3864000      -1.091700    
 S   -8.850100     -9.0200000E-02  7.2400004E-02
 O    5.557100      -1.879700     -0.5225000    
 O   -10.11780      0.2397000     -0.8976000    
 O   -8.825200      -1.521900      0.3029000    
 O   -8.884700      0.8406000       1.184000    
 N   -2.026600      0.2510000     -0.3392000    
 C    1.597400     -1.7800000E-02  0.7986000    
 C   0.4153000      0.2724000     -0.1287000    
 C    2.927800      0.3392000      0.1334000    
 C  -0.9133000     -5.1100001E-02  0.5527000    
 C    4.110200      1.7100001E-02   1.049800    
 C   -3.300300     -4.2900000E-02  0.3020000    
 C    5.428300      0.3328000      0.3904000    
 C   -4.458900      0.2865000     -0.6401000    
 C    6.082400     -0.6329000     -0.3615000    
 C   -5.800400      2.0999999E-03  3.0999999E-02
 C    5.968500       1.601300      0.5512000    
 C    7.301600     -0.3241000     -0.9650000    
 C    7.187700       1.909900     -5.2400000E-02
 C    7.854200      0.9473000     -0.8103000    
 C    5.922000      -2.865800      0.4409000    
 H    1.595000      -1.080000       1.072100    
 H    1.487800      0.5559000       1.727000    
 H   0.5179000     -0.3191000      -1.047300    
 H   0.4327000       1.329700     -0.4219000    
 H    3.024500     -0.2162000     -0.8082000    
 H    2.935200       1.405200     -0.1268000    
 H  -0.9287000      -1.111200      0.8339000    
 H  -0.9989000      0.5420000       1.471300    
 H    4.067900      -1.030800       1.364700    
 H    4.023200      0.5956000       1.979400    
 H   -1.937900     -0.2913000      -1.198100    
 H   -3.349800      -1.102600      0.5813000    
 H   -3.404000      0.5513000       1.218100    
 H   -4.365000     -0.3105000      -1.556800    
 H   -4.403000       1.343800     -0.9308000    
 H   -5.866400      -1.052700      0.3172000    
 H   -5.908300      0.6073000      0.9371000    
 H    5.457400       2.359700       1.137400    
 H    7.826200      -1.068700      -1.557600    
 H    7.617700       2.900000      6.7299999E-02
 H    8.803300       1.187800      -1.280500    
 H    5.214800      -3.696500      0.3664000    
 H    5.893800      -2.470500       1.461300    
 H    6.926300      -3.240400      0.2203000    
 H   -10.16980       1.169200      -1.222600    


%chk=000116121-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116121

0 1
S -6.694054 1.293023 -0.397163
S -8.653328 0.470714 0.962828
O 5.242706 -1.259517 1.340487
O -8.852204 1.885181 2.158008
O -10.083262 0.421026 0.229666
O -8.104707 -0.826609 1.773934
N -2.016015 -1.070206 -1.165454
C 1.306501 0.337203 0.228918
C 0.350456 -0.470576 -0.676908
C 2.785602 0.205692 -0.195326
C -1.128632 -0.311883 -0.268780
C 3.739923 1.023126 0.718985
C -3.407156 -1.286929 -0.795838
C 5.197699 0.902218 0.310506
C -4.295736 0.013385 -0.816209
C 5.947337 -0.271731 0.621702
C -5.745595 -0.326120 -0.396956
C 5.853891 1.928548 -0.405529
C 7.299951 -0.404044 0.227952
C 7.205221 1.811785 -0.810848
C 7.924525 0.641787 -0.491073
C 5.974648 -2.463517 1.737038
H 1.196878 -0.004495 1.279250
H 1.012746 1.408184 0.215670
H 0.616519 -1.544666 -0.650309
H 0.478501 -0.136617 -1.728824
H 3.090464 -0.857539 -0.164638
H 2.905037 0.546467 -1.243731
H -1.277696 -0.697462 0.759540
H -1.378603 0.776443 -0.240464
H 3.611496 0.664992 1.758522
H 3.438763 2.088716 0.694146
H -1.841006 -0.920744 -2.164739
H -3.851270 -2.030248 -1.484380
H -3.442436 -1.715730 0.224643
H -4.279305 0.445058 -1.835270
H -3.864119 0.761091 -0.124392
H -6.215378 -1.022671 -1.109591
H -5.781771 -0.755477 0.619253
H 5.291397 2.839496 -0.644968
H 7.871875 -1.304372 0.471682
H 7.687323 2.625259 -1.363057
H 8.971970 0.535750 -0.794927
H 5.248329 -3.070683 2.297552
H 6.835587 -2.216674 2.388469
H 6.330295 -3.029836 0.854092
H -8.011368 1.930103 2.701033


