%chk=000071914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071914

1 1
 S   -3.375500       1.417100       1.881700    
 O  -0.7389000      0.8036000       1.304200    
 O   -1.698500       2.020400      -1.608000    
 N    3.564900      0.3227000      0.6638000    
 N   0.4526000       1.199700      -1.287400    
 C    4.754900       1.144000       1.201200    
 C    4.168900     -0.6876000     -0.3333000    
 C    5.900100      0.8193000      0.2626000    
 C    5.661900     -0.6359000     -7.5499997E-02
 C    2.565900       1.227700     -4.0800001E-02
 C    2.866300     -0.4034000       1.803200    
 C    1.455300      0.3915000     -0.6489000    
 C  -0.9314000       1.276500     -0.9826000    
 C   0.9453000       2.045500      -2.385100    
 C   -1.487500      0.3821000      0.1560000    
 C   -1.307100      -1.122200     -6.0100000E-02
 C   -2.982100      0.6967000      0.4171000    
 C   -1.405200      -1.620400      -1.338800    
 C   -1.054200      -1.918800       1.032800    
 C   -3.995700      0.4482000     -0.4154000    
 C   -5.218900      0.8776000      0.1757000    
 C   -1.241300      -2.991600      -1.535700    
 C  -0.8901000      -3.290000      0.8359000    
 C   -5.025900       1.423700       1.425600    
 C  -0.9837000      -3.826300     -0.4484000    
 H    4.976000      0.8070000       2.219800    
 H    4.494000       2.206600       1.217400    
 H    3.972000     -0.3368000      -1.352100    
 H    3.731400      -1.678700     -0.1816000    
 H    5.842500       1.438700     -0.6402000    
 H    6.875200      0.9868000      0.7286000    
 H    5.924900      -1.276200      0.7749000    
 H    6.242600     -0.9651000     -0.9419000    
 H    3.123500       1.790600     -0.7979000    
 H    2.176500       1.936400      0.7001000    
 H    3.629200     -0.9149000       2.399300    
 H    2.184800      -1.161500       1.412700    
 H    2.341400      0.3321000       2.419400    
 H   0.9980000     -0.2330000      0.1032000    
 H    1.826800     -0.2917000      -1.419700    
 H    1.442100       2.921800      -1.959200    
 H    1.648800       1.475400      -2.999300    
 H   0.1295000       2.390000      -3.025900    
 H  -0.9451000       1.738400       1.477500    
 H   -1.612800     -0.9902000      -2.197300    
 H  -0.9881000      -1.525400       2.042000    
 H   -3.922400     -3.1999999E-03  -1.395700    
 H   -6.190900      0.7916000     -0.2926000    
 H   -1.316000      -3.409500      -2.535300    
 H  -0.6919000      -3.940500       1.682700    
 H   -5.775200       1.826400       2.092400    
 H  -0.8570000      -4.894000     -0.6015000    


%chk=000071914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071914

1 1
S -3.765618 -0.404988 1.405968
O -0.381197 0.734161 1.047483
O -1.738131 1.579546 -2.101972
N 3.453991 0.385603 0.591317
N 0.425333 0.828540 -1.767896
C 4.306159 1.477915 1.333310
C 4.468400 -0.365014 -0.314489
C 5.770285 1.267050 0.885055
C 5.819317 -0.201712 0.395324
C 2.337844 1.063439 -0.227329
C 2.853723 -0.572753 1.619935
C 1.462629 0.082436 -1.042707
C -0.914635 0.959871 -1.372202
C 0.825751 1.408851 -3.069888
C -1.355983 0.275119 -0.021238
C -1.259515 -1.259343 -0.153428
C -2.741880 0.711585 0.397962
C -1.700635 -1.883804 -1.347748
C -0.807740 -2.058060 0.925550
C -3.369354 1.945519 0.247321
C -4.642863 2.037553 0.911968
C -1.676163 -3.290251 -1.463694
C -0.787437 -3.466972 0.807699
C -5.000460 0.876458 1.578958
C -1.217026 -4.086785 -0.388081
H 4.168345 1.317053 2.413631
H 3.900631 2.465487 1.067278
H 4.471613 0.149912 -1.290244
H 4.131192 -1.403455 -0.450487
H 6.029279 1.953340 0.059991
H 6.472403 1.459457 1.711646
H 5.921291 -0.908544 1.237858
H 6.657225 -0.387155 -0.295353
H 2.840022 1.793929 -0.885484
H 1.679554 1.583293 0.487414
H 3.662603 -0.958888 2.258256
H 2.354005 -1.407974 1.109116
H 2.112218 -0.025728 2.221166
H 0.987987 -0.650582 -0.376770
H 2.070614 -0.472459 -1.784311
H 1.644997 2.142384 -2.950510
H 1.152843 0.610938 -3.762835
H -0.046371 1.921328 -3.501225
H -0.907082 1.328052 1.644215
H -2.085987 -1.274310 -2.173743
H -0.498631 -1.571252 1.856397
H -2.951306 2.747004 -0.362847
H -5.275824 2.926982 0.881667
H -2.026800 -3.765204 -2.386066
H -0.456667 -4.079761 1.653636
H -5.904161 0.661670 2.146938
H -1.208886 -5.178285 -0.476909


