%chk=000071868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071868

0 1
 S   -6.744300      -1.819900      0.2119000    
 O    1.695600       1.049000      0.4710000    
 O    2.802100      0.3400000      -1.420200    
 O   -6.348000      -2.218900       1.561400    
 O   -8.180400      -1.619100      2.4400000E-02
 O   -6.076400      -2.545400     -0.8676000    
 O    4.038200       2.665800       1.639500    
 N   -2.426400       1.131700      0.2874000    
 C   -1.749500       2.450400     -0.1414000    
 C   -1.777500      0.1587000     -0.7192000    
 C   -1.866800       2.410500      -1.674100    
 C   -1.885300      0.9230000      -2.049100    
 C  -0.2705000       2.433600      0.2844000    
 C  -0.3009000     -6.2100001E-02 -0.3450000    
 C   0.5095000       1.242300     -0.2928000    
 C   -3.954300       1.199200      9.3599997E-02
 C   -2.231200      0.7590000       1.755700    
 C   -4.574200     -0.1844000      0.2347000    
 C   -6.087500     -0.1873000      6.5899998E-02
 C    2.784400      0.5886000     -0.2214000    
 C    3.969100      0.4268000      0.7267000    
 C    4.755800       1.741600      0.8272000    
 C    4.847600     -0.7416000      0.3084000    
 C    4.594300      -2.018800      0.8092000    
 C    5.906300     -0.5368000     -0.5764000    
 C    5.399900      -3.090900      0.4254000    
 C    6.711700      -1.609100     -0.9602000    
 C    6.458500      -2.886000     -0.4594000    
 H   -2.290200       3.288300      0.3108000    
 H   -2.276700     -0.8093000     -0.7258000    
 H   -2.791900       2.894600      -2.007500    
 H   -1.048100       2.943900      -2.169400    
 H   -1.081300      0.6676000      -2.747500    
 H   -2.827800      0.6803000      -2.553700    
 H  -0.1678000       2.480700       1.374100    
 H   0.2125000       3.358100     -6.0800001E-02
 H   0.1631000     -0.7372000      -1.076200    
 H  -0.2216000     -0.5960000      0.6098000    
 H   0.7765000       1.523100      -1.320600    
 H   -4.351000       1.900100      0.8376000    
 H   -4.179700       1.608400     -0.8944000    
 H   -1.183500      0.8480000       2.041700    
 H   -2.513400     -0.2844000       1.907900    
 H   -2.826500       1.435300       2.376000    
 H   -4.351800     -0.6254000       1.208500    
 H   -4.182400     -0.8652000     -0.5228000    
 H   -6.565600      0.4330000      0.8310000    
 H   -6.371000      0.1967000     -0.9197000    
 H    3.562000      0.1919000       1.720700    
 H    5.731900       1.589000       1.300600    
 H    4.902000       2.206100     -0.1541000    
 H    3.771100      -2.192400       1.497000    
 H    6.120200      0.4400000     -0.9991000    
 H    4.566700       3.481100       1.678700    
 H    5.202100      -4.085400      0.8145000    
 H    7.533600      -1.450900      -1.652500    
 H    7.084900      -3.721000     -0.7593000    


%chk=000071868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071868

0 1
S -5.333404 -0.902073 -1.826493
O 1.780463 1.353017 0.385833
O 2.646056 1.033919 -1.754780
O -3.852233 -1.670442 -1.815265
O -6.545318 -1.671082 -2.594321
O -5.176414 0.730736 -2.157177
O 4.907223 3.115385 -0.488415
N -2.365558 0.797470 0.674470
C -1.894317 2.287371 0.582060
C -1.741236 0.241779 -0.663883
C -2.277621 2.666763 -0.872078
C -2.128055 1.341288 -1.692176
C -0.369383 2.367842 0.815699
C -0.215077 0.126525 -0.483505
C 0.416851 1.514115 -0.204836
C -3.916539 0.744846 0.635408
C -1.908549 0.095190 1.936544
C -4.503418 -0.669316 0.866558
C -5.803583 -0.875941 0.082081
C 2.822737 1.117310 -0.518705
C 4.151053 0.946206 0.214098
C 5.255508 1.688038 -0.562833
C 4.494803 -0.538861 0.389038
C 4.880991 -1.026369 1.662329
C 4.473533 -1.431022 -0.714305
C 5.244077 -2.381431 1.833468
C 4.833085 -2.786207 -0.542105
C 5.221222 -3.265756 0.730547
H -2.439717 2.861338 1.352023
H -2.241895 -0.715093 -0.913564
H -3.312298 3.042154 -0.935087
H -1.614854 3.469576 -1.237301
H -1.347696 1.413642 -2.467898
H -3.081678 1.081436 -2.186418
H -0.094433 2.071445 1.842762
H -0.071900 3.426944 0.715890
H 0.199829 -0.280879 -1.421657
H 0.060334 -0.588456 0.312765
H 0.535005 2.055500 -1.160576
H -4.254654 1.455671 1.412998
H -4.243820 1.104413 -0.360253
H -0.827224 0.189678 2.080020
H -2.168215 -0.969610 1.863540
H -2.435151 0.544995 2.794087
H -4.679845 -0.861085 1.942221
H -3.807546 -1.444243 0.487169
H -6.252852 -1.862422 0.272464
H -6.547932 -0.068671 0.161807
H 4.054340 1.418327 1.206606
H 6.235240 1.490217 -0.083248
H 5.277534 1.329962 -1.611719
H 4.898817 -0.343531 2.520609
H 4.162732 -1.068717 -1.701308
H 5.444517 3.626706 -1.142443
H 5.542322 -2.745206 2.823064
H 4.809601 -3.467549 -1.399830
H 5.500643 -4.316942 0.861525


