%chk=000171031.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171031

0 1
 S   -2.087500       2.832700     -0.3187000    
 O    4.508700      0.3303000      0.6755000    
 O    3.733400      -2.782900      0.7013000    
 O    5.318400      -2.422200      -1.487300    
 O    7.111500       1.268400      0.1084000    
 O   -3.079600      0.5152000      -1.974200    
 N    2.158900      0.4443000      0.3588000    
 N    1.036900       2.039900     -0.7243000    
 N   0.3935000     -0.3987000       1.799300    
 N   -1.698100      0.8061000       1.438600    
 C    3.431400      -1.659500     -0.1245000    
 C    4.606900      -1.299200      -1.013200    
 C    3.275500     -0.4163000      0.7532000    
 C    5.451400     -0.4323000     -9.5600002E-02
 C    6.385300      0.5056000     -0.8394000    
 C   0.8850000      0.4162000      0.8538000    
 C    2.199200       1.436900     -0.5859000    
 C   0.2062000       1.411900      0.1695000    
 C   -1.134900       1.594300      0.4915000    
 C  -0.9105000     -0.1277000       2.025000    
 C   -3.760700       2.117700     -0.2945000    
 C   -3.813200      0.7903000      -1.027700    
 C   -4.801900     -0.2309000     -0.5678000    
 C   -5.977800      0.2009000      1.9999999E-04
 C   -4.496400      -1.562000     -0.7305000    
 C   -6.900800     -0.7527000      0.4299000    
 C   -5.419300      -2.515600     -0.3010000    
 C   -6.621400      -2.110900      0.2794000    
 H    2.539100      -1.916900     -0.7043000    
 H    3.120000     -0.6692000       1.808400    
 H    4.245000     -0.7170000      -1.869700    
 H    6.033400      -1.041800      0.6078000    
 H    5.832200       1.204100      -1.475700    
 H    7.099100     -4.6000000E-02  -1.457400    
 H    2.961800      -2.938500       1.272500    
 H    6.072100      -2.097000      -2.008000    
 H    3.094100       1.675600      -1.144400    
 H    6.466500       1.752200      0.6523000    
 H   -1.394800     -0.7414000       2.777100    
 H   -4.063800       2.005400      0.7503000    
 H   -4.443500       2.814600     -0.7896000    
 H   -6.227000       1.250900      0.1118000    
 H   -3.561900      -1.891000      -1.174500    
 H   -7.838700     -0.4378000      0.8780000    
 H   -5.201400      -3.573300     -0.4169000    
 H   -7.340300      -2.853500      0.6133000    


%chk=000171031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171031

0 1
S -1.993830 2.250699 -0.191216
O 5.126586 0.791983 0.520098
O 5.054876 -1.810199 2.056830
O 5.335996 -2.739536 -0.418738
O 6.741576 1.532001 -1.794038
O -3.157906 -0.105452 -1.728092
N 2.744427 0.791233 0.774324
N 1.340349 2.344633 -0.186336
N 1.029366 -0.741546 1.734809
N -1.247087 0.017954 1.251788
C 4.094123 -1.309949 1.080246
C 4.682215 -1.432219 -0.350376
C 4.023464 0.214697 1.286562
C 5.665017 -0.237203 -0.437356
C 5.780252 0.430384 -1.809162
C 1.438629 0.361779 1.047320
C 2.615847 1.991979 0.048504
C 0.584330 1.335172 0.432975
C -0.809939 1.103462 0.556140
C -0.329003 -0.838241 1.800093
C -3.585029 1.340610 0.200516
C -3.963800 0.270107 -0.834703
C -5.336109 -0.336839 -0.719111
C -6.230932 -0.024364 0.340549
C -5.741110 -1.265811 -1.717016
C -7.505012 -0.628682 0.398404
C -7.014413 -1.864734 -1.660383
C -7.900465 -1.546881 -0.601965
H 3.112348 -1.800779 1.194783
H 4.158109 0.481858 2.347712
H 3.876418 -1.345044 -1.108003
H 6.660686 -0.535615 -0.060583
H 4.776344 0.771561 -2.143450
H 6.177629 -0.285672 -2.551606
H 5.451654 -2.639756 1.678289
H 5.652487 -2.931832 -1.334298
H 3.489787 2.551137 -0.271388
H 6.494428 2.144694 -1.054359
H -0.733057 -1.694848 2.346018
H -3.432937 0.845457 1.178431
H -4.361592 2.117156 0.294811
H -5.938352 0.678468 1.127421
H -5.035302 -1.496667 -2.521763
H -8.187975 -0.386707 1.219884
H -7.319849 -2.576531 -2.434917
H -8.891246 -2.012715 -0.556851


