%chk=000105279.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105279

0 1
 S    2.358300       1.266200      0.1983000    
 O   -8.923100      0.6660000     -4.3099999E-02
 O    7.422600       2.262200      0.3372000    
 N   -6.144700      0.2552000      5.7300001E-02
 N  -0.6652000     -0.9594000     -0.1288000    
 N    1.965200      -1.254900     -0.1780000    
 N    7.418800     -6.8999998E-02 -1.3100000E-02
 N   1.2800000E-02  8.3300002E-02  2.6799999E-02
 C   -7.066100     -0.7734000      0.5591000    
 C   -6.721000       1.188300     -0.9170000    
 C   -8.368600     -0.1222000       1.009900    
 C   -8.042300       1.734700     -0.3877000    
 C   -4.779900     -4.7100000E-02  1.0700000E-02
 C   -4.072300     -2.5200000E-02  -1.208100    
 C   -4.070300     -0.3830000       1.181300    
 C   -2.711200     -0.3269000      -1.254500    
 C   -2.709100     -0.6847000       1.134800    
 C   -2.029700     -0.6567000     -8.3099999E-02
 C    3.749900      0.2600000      4.4199999E-02
 C    3.338900      -1.061900     -0.1522000    
 C    6.061900     -0.3945000     -5.8800001E-02
 C    5.107700      0.6147000      9.3800001E-02
 C    4.323700      -2.062300     -0.3033000    
 C    5.677300      -1.716300     -0.2548000    
 C    1.361400     -0.1059000     -4.1000000E-03
 C    7.999300       1.192000      0.1734000    
 C    9.505700       1.120800      0.1598000    
 H   -6.642100      -1.332900       1.400100    
 H   -7.267500      -1.485300     -0.2509000    
 H   -6.899500      0.6584000      -1.860700    
 H   -6.044700       2.029400      -1.109700    
 H   -9.099700     -0.8930000       1.273700    
 H   -8.215400      0.5074000       1.894900    
 H   -7.887000       2.375600      0.4887000    
 H   -8.531500       2.339500      -1.157800    
 H   -4.572700      0.2149000      -2.143000    
 H   -4.576700     -0.3998000       2.143900    
 H   -2.191000     -0.3059000      -2.208700    
 H   -2.186300     -0.9386000       2.053300    
 H    5.341500       1.657000      0.2486000    
 H    4.034100      -3.098000     -0.4571000    
 H    6.422700      -2.499300     -0.3730000    
 H    8.058000     -0.8524000     -0.1315000    
 H    9.853100      0.4885000      0.9816000    
 H    9.925300       2.123400      0.2804000    
 H    9.849300      0.7053000     -0.7918000    


%chk=000105279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105279

0 1
S 2.517598 1.289143 -0.760565
O -9.201177 0.631102 -0.059167
O 7.765767 1.965080 -1.053781
N -6.338173 0.137117 -0.133890
N -0.735837 -0.692782 0.364081
N 2.094187 -1.070351 0.513134
N 7.641748 -0.105300 0.047480
N 0.074904 0.199909 -0.189499
C -7.311614 -0.970869 0.020412
C -6.921463 1.318053 -0.808716
C -8.604546 -0.480298 0.696332
C -8.238261 1.738296 -0.123448
C -4.953195 -0.062560 -0.052420
C -4.030235 0.848538 -0.677675
C -4.396486 -1.166509 0.676613
C -2.648936 0.680042 -0.563428
C -3.011724 -1.332147 0.784527
C -2.106054 -0.415057 0.176738
C 3.929227 0.310712 -0.217251
C 3.475440 -0.896003 0.428734
C 6.235888 -0.309105 0.140594
C 5.292113 0.619348 -0.368827
C 4.441819 -1.808225 0.926978
C 5.802496 -1.513635 0.782290
C 1.434013 -0.058684 -0.035521
C 8.335250 0.969711 -0.516723
C 9.856433 0.857802 -0.439339
H -6.879527 -1.788614 0.615272
H -7.563189 -1.378067 -0.983135
H -7.112750 1.097199 -1.881392
H -6.225089 2.169506 -0.747715
H -9.365363 -1.277548 0.703984
H -8.390855 -0.157050 1.738051
H -8.021471 2.106764 0.902721
H -8.735205 2.533401 -0.702755
H -4.400508 1.678929 -1.285127
H -5.044692 -1.885321 1.184459
H -1.956241 1.373222 -1.050722
H -2.588182 -2.168377 1.350452
H 5.643968 1.530322 -0.854591
H 4.103770 -2.725502 1.416892
H 6.551335 -2.217197 1.167827
H 8.215578 -0.848631 0.451397
H 10.252417 1.736732 0.097883
H 10.269647 0.888432 -1.462258
H 10.217074 -0.057328 0.062092


