%chk=000153788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153788

0 1
 S    5.350900       1.151600       1.097700    
 O   0.1772000     -0.6898000      -2.401000    
 O    2.343600      -1.339700      -2.576700    
 O   0.8015000      -2.872900     -0.7029000    
 O   0.8712000      -2.713100       1.485500    
 N   0.9034000     -1.9900000E-02  0.1835000    
 N   -3.184400      0.9014000      0.2494000    
 N   0.2697000      -2.590800      0.3946000    
 C    1.736400      0.3378000     -0.9150000    
 C  -0.4896000      0.2608000      0.2095000    
 C   -1.442700     -0.7572000      0.3150000    
 C    3.210400      0.2966000     -0.4915000    
 C  -0.8852000       1.599500      0.1240000    
 C   -2.797900     -0.3864000      0.3314000    
 C   -2.262300       1.878200      0.1480000    
 C   -1.073500      -2.110800      0.4023000    
 C    3.589500       1.233200      0.6592000    
 C   5.0900001E-02   2.642800      1.7000001E-02
 C    1.487000     -0.6488000      -2.040400    
 C   -3.751500      -1.395400      0.4361000    
 C   -2.662500       3.209000      6.3299999E-02
 C   -2.046400      -3.100500      0.5061000    
 C   -3.388200      -2.741600      0.5232000    
 C  -0.3753000       3.965000     -6.6299997E-02
 C   -1.734900       4.248300     -4.3099999E-02
 C    5.302900     -0.3573000       2.091100    
 H    1.551200       1.311100      -1.374600    
 H    1.275700     -0.5964000      0.9286000    
 H    3.833000      0.5348000      -1.365000    
 H    3.466500     -0.7344000     -0.2118000    
 H    3.394600       2.266600      0.3549000    
 H    2.987300       1.042600       1.553100    
 H    1.118900       2.512800      0.1152000    
 H   -4.809500      -1.139800      0.4513000    
 H   -3.722400       3.457000      8.1000000E-02
 H   -1.780200      -4.152500      0.5746000    
 H   -4.155700      -3.505800      0.6039000    
 H   0.3495000       4.771600     -0.1211000    
 H   -2.078000       5.277200     -0.1009000    
 H   1.7100001E-02  -1.332300      -3.124700    
 H    6.298500     -0.5440000       2.503000    
 H    5.020000      -1.217900       1.480500    
 H    4.602500     -0.2482000       2.923300    


%chk=000153788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153788

0 1
S 5.489605 1.190490 0.983564
O 1.015412 -1.691081 -1.965375
O 1.881008 -0.104624 -3.431197
O 0.272953 -4.061125 0.183619
O 0.954914 -2.328460 1.488000
N 0.956701 -0.008301 0.129371
N -3.231185 0.939675 0.145387
N 0.079163 -2.898730 0.704267
C 1.777472 0.424246 -1.011988
C -0.411902 0.253182 0.245577
C -1.411533 -0.786001 0.387495
C 3.294514 0.361967 -0.651625
C -0.856233 1.628112 0.216693
C -2.817777 -0.355430 0.301834
C -2.274631 1.918731 0.126433
C -1.218946 -2.225665 0.472260
C 3.682874 1.358971 0.453566
C 0.055036 2.732425 0.329534
C 1.564472 -0.441437 -2.271875
C -3.883905 -1.322791 0.316825
C -2.713422 3.285169 0.029806
C -2.283630 -3.138070 0.438365
C -3.629634 -2.687532 0.370387
C -0.399979 4.048905 0.269218
C -1.795532 4.329749 0.086044
C 5.350791 -0.349975 2.060816
H 1.519276 1.452740 -1.316062
H 1.271288 -0.883960 0.572662
H 3.883152 0.568412 -1.562701
H 3.537077 -0.670221 -0.331422
H 3.592394 2.402305 0.102101
H 3.053948 1.231130 1.351540
H 1.109837 2.529560 0.533451
H -4.898549 -0.917620 0.267621
H -3.789264 3.457893 -0.068301
H -2.054323 -4.205272 0.495665
H -4.446445 -3.415004 0.374010
H 0.307773 4.876896 0.383994
H -2.135962 5.368805 0.021963
H 0.937012 -2.243486 -2.789537
H 6.343798 -0.498679 2.512891
H 5.086464 -1.234428 1.460669
H 4.605120 -0.189072 2.855757


