%chk=000043162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043162

0 1
 S    3.906200       2.617400      0.2579000    
 O    2.959000      -1.073100      0.1718000    
 O    3.203600       3.524400       1.415700    
 O    3.770100       3.293200      -1.016500    
 O    5.188500       2.147900      0.7426000    
 O    3.998800      0.1628000      -1.473300    
 N    3.397800      -4.715600     -0.2031000    
 C   -1.101900       1.280400     -0.2692000    
 C   -2.247400      0.4093000      0.2493000    
 C   0.2476000      0.8069000      0.2756000    
 C   -3.593400      0.8614000     -0.3220000    
 C    1.396100       1.662200     -0.2685000    
 C   -4.741000      9.3000000E-03  0.2247000    
 C    2.758100       1.266500      0.3073000    
 C   -6.110800      0.3987000     -0.3384000    
 C   -7.266600     -0.4039000      0.2630000    
 C    3.318700      8.5000001E-02 -0.4588000    
 C   -8.606400      1.6500000E-02 -0.3430000    
 C   -9.763500     -0.7503000      0.2771000    
 C    3.436000      -2.279000     -0.4335000    
 C    2.949800      -3.463100      0.3870000    
 C    2.900800      -5.856800      0.5544000    
 H   -1.272300       2.323800      2.2200000E-02
 H   -1.085300       1.249000      -1.365500    
 H   -2.067300     -0.6376000     -2.3600001E-02
 H   -2.276700      0.4576000       1.344700    
 H   0.2373000      0.8574000       1.371000    
 H   0.4021000     -0.2424000     -3.9999999E-04
 H   -3.768200       1.914100     -6.9600001E-02
 H   -3.572200      0.7896000      -1.416100    
 H    1.174800       2.709200     -2.6799999E-02
 H    1.412000       1.596800      -1.364200    
 H   -4.550400      -1.047100     -1.8000000E-03
 H   -4.764800      9.8899998E-02   1.317900    
 H    2.687400      0.9935000       1.367700    
 H   -6.100700      0.2628000      -1.427000    
 H   -6.281800       1.466700     -0.1546000    
 H   -7.101400      -1.473700      8.7300003E-02
 H   -7.288600     -0.2538000       1.349200    
 H   -8.596600     -0.1579000      -1.425200    
 H   -8.764900       1.090200     -0.1886000    
 H   -10.71090     -0.4352000     -0.1714000    
 H   -9.652200      -1.827100      0.1147000    
 H   -9.821300     -0.5693000       1.355200    
 H    3.301500       3.187600       2.337300    
 H    3.050800      -2.342700      -1.458600    
 H    4.532300      -2.258300     -0.4609000    
 H    1.854100      -3.429600      0.4389000    
 H    3.314100      -3.362700       1.417200    
 H    4.416900      -4.740300     -0.2238000    
 H    3.246600      -6.783300      8.5600004E-02
 H    3.267000      -5.844200       1.586100    
 H    1.806200      -5.881100      0.5624000    


%chk=000043162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043162

0 1
S 3.655820 1.183432 0.560290
O 3.039594 -2.041638 1.272868
O 3.831249 1.480358 2.394558
O 3.288837 2.586699 -0.154668
O 4.936136 0.353778 0.022739
O 2.080993 -1.741980 -0.844046
N 5.540515 -4.472500 -0.143978
C -1.709405 0.822172 -0.098278
C -3.079356 0.271736 0.356982
C -0.519050 0.136853 0.610971
C -4.268425 0.944722 -0.365300
C 0.836551 0.738938 0.146229
C -5.644787 0.415172 0.096360
C 1.994016 0.046785 0.841223
C -6.830948 1.087524 -0.631151
C -8.210335 0.568810 -0.166039
C 2.361708 -1.325710 0.303014
C -9.394590 1.243756 -0.895267
C -10.769560 0.723577 -0.423025
C 3.614608 -3.362642 0.861769
C 5.027305 -3.157708 0.286024
C 7.004924 -4.552242 -0.311873
H -1.671012 1.914893 0.090802
H -1.605726 0.689309 -1.194612
H -3.114784 -0.823245 0.178796
H -3.187967 0.413778 1.452633
H -0.624678 0.254107 1.708731
H -0.542471 -0.949153 0.393878
H -4.224436 2.041606 -0.199530
H -4.165829 0.791808 -1.460001
H 0.853201 1.821276 0.370706
H 0.935129 0.619472 -0.947706
H -5.689869 -0.682206 -0.066030
H -5.749643 0.571854 1.190532
H 1.976259 0.065921 1.942406
H -6.729121 0.925719 -1.724887
H -6.781346 2.185656 -0.474354
H -8.262960 -0.529179 -0.322862
H -8.314453 0.731219 0.927475
H -9.290777 1.079248 -1.987380
H -9.339225 2.340795 -0.740222
H -11.598536 1.222589 -0.958041
H -10.862001 -0.365331 -0.596837
H -10.909766 0.902298 0.659944
H 4.630374 2.064599 2.538592
H 3.642400 -3.957198 1.785874
H 2.939127 -3.826320 0.120206
H 5.688189 -2.765882 1.079918
H 4.999154 -2.386582 -0.517528
H 5.037552 -4.827654 -0.967364
H 7.283037 -5.571345 -0.634006
H 7.424783 -3.827036 -1.048934
H 7.497198 -4.363906 0.659800


