%chk=000105608.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105608

0 1
 S   -7.199500     -5.6200001E-02  -1.655000    
 O   -2.968000      -2.456700       1.680800    
 O   -8.293000      0.5408000     -0.5965000    
 O   -6.630100       1.080500      -2.363700    
 O   -7.826300      -1.147300      -2.384800    
 O  -0.5926000     -0.1541000       1.039100    
 O    2.523700       3.233400      7.2200000E-02
 O    7.371300      -3.257000      -1.162200    
 O    8.719400      -1.526000      -1.089300    
 N   -2.758400      0.2470000      0.9285000    
 N   -2.674200       1.540300      0.5610000    
 N    3.251200       1.157500      0.6646000    
 N    2.025800      0.6197000      0.8174000    
 N    7.953500      0.7512000     -0.4425000    
 N    7.584800      -2.040100     -0.9512000    
 C   -3.846700     -0.5443000      0.5285000    
 C   -5.942900     -0.7604000     -0.6676000    
 C   -4.855800      1.4300000E-02 -0.2632000    
 C   -3.937700      -1.886900      0.9112000    
 C   -6.027600      -2.098400     -0.2825000    
 C   -5.024800      -2.661700      0.5068000    
 C    4.337900      0.3650000      0.2629000    
 C   -1.461200       1.960200      0.4394000    
 C    1.068600       1.451900      0.5808000    
 C    6.684800      0.1466000     -0.2932000    
 C  -0.3476000      0.9926000      0.7129000    
 C    5.605600      0.9341000      0.1079000    
 C    6.501400      -1.213800     -0.5411000    
 C    4.159600     -0.9991000      1.3100000E-02
 C   -1.069800       3.336000      4.7899999E-02
 C    5.238800      -1.786600     -0.3880000    
 C    1.366900       2.862900      0.1798000    
 C   0.2014000       3.740600     -6.8499997E-02
 C   -3.138500      -2.385900       3.094800    
 H   -4.808400       1.057500     -0.5643000    
 H   -6.868300      -2.719400     -0.5784000    
 H   -5.097800      -3.704400      0.8036000    
 H   -2.181700     -0.1209000       1.675900    
 H    5.747900       1.995700      0.3003000    
 H    3.190300      -1.478600      0.1216000    
 H    5.054300      -2.842100     -0.5714000    
 H   -1.879300       4.031800     -0.1491000    
 H    3.460600       2.091000      0.9979000    
 H   0.4203000       4.763000     -0.3595000    
 H   -4.013800      -2.967800       3.400700    
 H   -3.244900      -1.348400       3.426900    
 H   -2.251100      -2.814600       3.568300    
 H   -7.958300       1.248400      3.3000000E-03
 H    8.054100       1.740300     -0.2534000    
 H    8.766600      0.2265000     -0.7268000    


%chk=000105608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105608

0 1
S -7.986216 0.730502 -0.152596
O -3.053481 -2.529078 0.978533
O -8.154772 1.449955 1.555143
O -7.613732 1.927360 -1.175375
O -9.259382 -0.228858 -0.431914
O -0.214236 -0.383558 0.285104
O 2.494790 3.454674 -0.950609
O 7.998271 -3.081593 1.199520
O 9.374427 -1.344328 0.669255
N -2.774441 -0.027255 0.154002
N -2.566393 1.234013 -0.259481
N 3.527784 1.230948 -0.220518
N 2.308203 0.702513 -0.057463
N 8.354280 0.956620 -0.077127
N 8.172898 -1.859515 0.815372
C -4.087573 -0.506394 0.304606
C -6.481147 -0.301881 0.221789
C -5.223431 0.287422 0.040170
C -4.249191 -1.859199 0.749951
C -6.681342 -1.623321 0.651884
C -5.539910 -2.410217 0.914988
C 4.674800 0.450452 0.039861
C -1.284994 1.669571 -0.395366
C 1.231032 1.486161 -0.318946
C 7.140023 0.341123 0.103310
C -0.086263 0.838202 -0.115079
C 5.928813 1.059554 -0.139849
C 7.012426 -1.030376 0.537801
C 4.560543 -0.907314 0.470176
C -1.137589 3.037324 -0.844179
C 5.730126 -1.623608 0.711023
C 1.328466 2.896925 -0.778557
C 0.095487 3.628084 -1.028405
C -3.100944 -3.924276 1.439466
H -5.104278 1.316833 -0.307995
H -7.691602 -2.028085 0.761265
H -5.665260 -3.443010 1.249399
H -1.934391 -0.630797 0.356676
H 5.988303 2.103030 -0.471192
H 3.570524 -1.348100 0.599014
H 5.697988 -2.665030 1.041285
H -2.063804 3.590667 -1.034048
H 3.561866 2.241505 -0.547611
H 0.195132 4.662832 -1.367716
H -3.599223 -4.567701 0.690894
H -3.617812 -3.997784 2.414144
H -2.048551 -4.219776 1.548369
H -8.934702 2.078367 1.540367
H 8.402176 1.924876 -0.385704
H 9.196806 0.399643 0.112265


