%chk=000107678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107678

0 1
 S   -5.907400     -0.2278000      0.3373000    
 O   -7.225500      0.2842000      0.6630000    
 O   -5.666100     -0.8887000     -0.9300000    
 N   0.4948000      0.2564000      -1.268300    
 N    4.124600     -0.4321000      0.7113000    
 N   -4.755200       1.023300      0.6085000    
 C    1.725600      2.2800000E-02 -0.5969000    
 C    2.131400      -1.288600     -0.3291000    
 C    2.520600       1.106400     -0.2101000    
 C    3.355100      -1.472300      0.3364000    
 C    3.729100      0.8290000      0.4508000    
 C  -0.8125000      0.4466000     -0.8017000    
 C    1.352400      -2.396200     -0.7067000    
 C    2.137600       2.434500     -0.4665000    
 C    3.764500      -2.775600      0.6059000    
 C    4.525100       1.903600      0.8386000    
 C   -1.860600      0.6627000      -1.703400    
 C   -1.082800      0.4235000      0.5714000    
 C   -3.423700      0.8291000      0.1316000    
 C    1.784400      -3.688900     -0.4256000    
 C    2.951300       3.491100     -6.8400003E-02
 C   -3.161800      0.8535000      -1.238400    
 C   -2.384100      0.6141000       1.036500    
 C    2.992900      -3.878600      0.2321000    
 C    4.147400       3.224600      0.5855000    
 C   -5.456900      -1.356600       1.636200    
 H   0.5985000      0.2854000      -2.278400    
 H   0.4046000      -2.283900      -1.226600    
 H    1.211200       2.678300     -0.9799000    
 H    4.707900      -2.950400       1.120200    
 H    5.467100       1.720800       1.352500    
 H   -1.671600      0.6874000      -2.773800    
 H  -0.2930000      0.2579000       1.299500    
 H    1.181600      -4.542800     -0.7192000    
 H    2.653800       4.515900     -0.2685000    
 H   -3.958800       1.032600      -1.955400    
 H   -2.576600      0.5917000       2.106100    
 H    3.339400      -4.883300      0.4560000    
 H    4.789900       4.041700      0.9002000    
 H   -4.805600       1.469700       1.534100    
 H   -5.515600     -0.8379000       2.595000    
 H   -6.168300      -2.185500       1.621600    
 H   -4.450100      -1.735100       1.453300    


%chk=000107678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107678

0 1
S -6.137176 0.423749 0.490973
O -7.385081 1.180757 1.208425
O -6.270036 -0.250842 -0.982158
N 0.381735 -0.340150 -1.227806
N 4.224213 -0.448008 0.721014
N -4.638884 1.798473 0.338295
C 1.629761 -0.349990 -0.551526
C 2.328989 -1.593467 -0.420163
C 2.242103 0.851213 -0.068462
C 3.647212 -1.579186 0.206503
C 3.539090 0.732818 0.595624
C -0.843961 0.199995 -0.789169
C 1.787957 -2.854594 -0.853911
C 1.683147 2.164674 -0.251415
C 4.380464 -2.813025 0.314875
C 4.165412 1.919641 1.118240
C -1.932422 0.261737 -1.711148
C -1.046294 0.649694 0.548390
C -3.380933 1.240401 0.012898
C 2.525216 -4.030162 -0.727384
C 2.330860 3.291392 0.247906
C -3.175602 0.777707 -1.322913
C -2.301610 1.138329 0.942498
C 3.840130 -4.008110 -0.148990
C 3.575030 3.168247 0.956934
C -5.542830 -0.990548 1.669734
H 0.328049 -0.922658 -2.066660
H 0.770517 -2.901298 -1.258636
H 0.743368 2.278467 -0.798282
H 5.370082 -2.762645 0.778894
H 5.125724 1.789506 1.626206
H -1.786129 -0.077589 -2.743981
H -0.230247 0.593306 1.274028
H 2.096416 -4.982845 -1.056677
H 1.894148 4.283822 0.092435
H -4.004203 0.846907 -2.033392
H -2.449053 1.464330 1.980434
H 4.407077 -4.941206 -0.061787
H 4.063221 4.065608 1.352200
H -4.669048 2.242945 1.278009
H -5.486523 -0.557749 2.677853
H -6.315533 -1.767806 1.590230
H -4.569755 -1.329337 1.288561


