%chk=000064005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064005

0 1
 I    6.606500       1.891300       2.291600    
 S   -3.612600      -2.129700       2.081400    
 S  -0.8921000     -0.9766000       1.348600    
 O   -5.438600      -1.458100     -0.3296000    
 O    1.557300     -0.4309000       1.939900    
 N   -4.190500       1.991400     -1.7899999E-02
 N    1.231600      -1.319800     -0.2181000    
 N    2.970300      -1.166100      -1.820200    
 N  -0.6456000      -2.891000     -0.3365000    
 N   -1.878300      -3.078400      0.2640000    
 C   -4.525800     -0.4430000      8.5100003E-02
 C   -5.090400      0.9114000     -0.3535000    
 C   -4.290200     -0.5199000       1.596300    
 C   -2.899400       2.095200     -0.5080000    
 C    3.297200     -0.1989000      0.4062000    
 C   -1.926300       2.890600      0.1291000    
 C    3.762400     -0.5020000     -0.8754000    
 C    1.768700      -1.526700      -1.486900    
 C    1.938400     -0.6390000      0.7909000    
 C  -3.4499999E-02  -1.832800      0.1394000    
 C   -2.525900       1.396700      -1.672500    
 C    4.108500      0.4863000       1.318200    
 C  -0.6306000       2.983200     -0.3790000    
 C   -2.129600      -2.149700       1.161800    
 C    5.056400     -0.1081000      -1.235600    
 C   -2.271200       3.651800       1.367700    
 C   0.9331000      -2.148300      -2.587300    
 C   -1.230200       1.489300      -2.180600    
 C  -0.2826000       2.282500      -1.533900    
 C    5.394700      0.8733000      0.9450000    
 C    5.869200      0.5757000     -0.3303000    
 H   -3.594400     -0.6465000     -0.4469000    
 H   -5.331100      0.9136000      -1.423700    
 H   -6.051300       1.081800      0.1486000    
 H   -3.627900      0.2744000       1.952200    
 H   -5.244600     -0.4135000       2.123500    
 H   -4.454300       2.577400      0.7655000    
 H   -3.233900      0.7875000      -2.227800    
 H    3.739200      0.7153000       2.314900    
 H   -5.524000      -1.400900      -1.296700    
 H   0.1210000       3.595100      0.1126000    
 H    5.438700     -0.3295000      -2.229300    
 H   -1.407900       4.199600       1.761300    
 H   -3.055200       4.387800       1.161000    
 H   -2.606900       2.970900       2.157000    
 H   0.8558000      -3.226400      -2.421400    
 H    1.407000      -1.986000      -3.560500    
 H  -6.5600000E-02  -1.705100      -2.615000    
 H  -0.9593000      0.9471000      -3.081900    
 H   0.7268000       2.352600      -1.928700    
 H    6.868800      0.8678000     -0.6422000    


%chk=000064005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064005

0 1
I 6.359048 2.351531 2.589299
S -4.067878 -2.720297 1.497609
S -1.381666 -0.986038 1.305475
O -6.209329 -0.844181 -0.347351
O 1.203907 -0.138101 2.058133
N -3.592770 1.799179 0.383767
N 1.109389 -1.162263 -0.069422
N 2.837858 -0.780523 -1.711359
N -0.449136 -3.009853 -0.175225
N -1.760554 -3.382902 0.155634
C -4.893346 -0.352229 0.090070
C -4.895590 1.210884 0.086573
C -4.683779 -0.918387 1.496023
C -2.514296 1.853504 -0.514699
C 3.101969 0.123092 0.576472
C -1.262579 2.399853 -0.068071
C 3.603566 -0.124647 -0.736308
C 1.649433 -1.264871 -1.402388
C 1.768273 -0.364852 0.950732
C -0.108486 -1.800785 0.277423
C -2.627325 1.373234 -1.850572
C 3.878673 0.833699 1.529677
C -0.173963 2.424112 -0.966428
C -2.395972 -2.463180 0.889957
C 4.902433 0.340199 -1.078086
C -1.115513 2.916079 1.351418
C 0.819311 -1.891732 -2.490655
C -1.520956 1.416352 -2.726216
C -0.281927 1.935355 -2.291026
C 5.157598 1.278945 1.165794
C 5.678547 1.034333 -0.136034
H -4.088156 -0.705464 -0.585375
H -5.267721 1.549653 -0.902015
H -5.630599 1.562356 0.833542
H -3.973005 -0.314318 2.082014
H -5.651902 -0.966213 2.022855
H -3.464345 2.237517 1.293219
H -3.578185 0.971406 -2.216210
H 3.456487 1.006636 2.523565
H -6.248857 -0.887760 -1.334440
H 0.780205 2.840671 -0.619293
H 5.275540 0.146495 -2.087679
H -0.104786 3.322563 1.519234
H -1.835940 3.729167 1.578379
H -1.266476 2.110941 2.099429
H 0.690544 -2.974629 -2.335342
H 1.339896 -1.708443 -3.441200
H -0.190790 -1.445825 -2.526749
H -1.633566 1.045892 -3.751887
H 0.579912 1.967753 -2.965485
H 6.677604 1.388791 -0.404376


