%chk=000050345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050345

0 1
 S    5.509400      0.7885000       1.564000    
 O    1.770000      0.6137000      -3.066200    
 O    6.577400       1.534000       2.203400    
 O    4.689200     -0.1283000       2.330700    
 O   -6.989000      0.5077000      0.3516000    
 N  -0.3874000      5.0500002E-02  -1.350100    
 N    4.531800       1.892500      0.6744000    
 N   -3.981300     -0.9805000      0.5442000    
 N   -6.065700       1.027400       2.385400    
 C   -1.606000     -0.2989000     -0.7075000    
 C   -2.586400      0.6771000     -0.5021000    
 C   -1.814500      -1.616200     -0.2864000    
 C   -3.775400      0.2868000      0.1367000    
 C   -3.033800      -1.916900      0.3441000    
 C   0.8411000      0.5092000     -0.8566000    
 C    6.246500     -0.1257000      0.2277000    
 C    3.285800       1.424900      0.1572000    
 C   -4.755200       1.254000      0.3440000    
 C   -2.403400       2.008500     -0.9149000    
 C    1.907600      0.7855000      -1.721200    
 C    7.186800      -1.201400      0.7456000    
 C  -0.8466000      -2.617200     -0.4797000    
 C    1.011400      0.6960000      0.5206000    
 C    3.125100       1.241700      -1.216200    
 C    2.228900       1.152000       1.025700    
 C   -3.247300      -3.226500      0.7656000    
 C   -4.576800       2.578000     -6.4999998E-02
 C   -3.398600       2.956300     -0.6957000    
 C   -1.084600      -3.918900     -4.8799999E-02
 C   -2.287700      -4.223800      0.5751000    
 C    7.833000      -1.970600     -0.3944000    
 C   -6.011000      0.9087000       1.001800    
 C    2.106500     -0.6679000      -3.593000    
 H  -0.4412000     -2.2700001E-02  -2.361700    
 H    6.783700      0.5896000     -0.4034000    
 H    5.437900     -0.5824000     -0.3509000    
 H   -1.496300       2.337300      -1.415300    
 H    5.045600       2.509100      3.0400001E-02
 H    7.971300     -0.7509000       1.364700    
 H    6.641400      -1.901500       1.389000    
 H   0.1029000      -2.414300     -0.9679000    
 H   0.2059000      0.4947000       1.222200    
 H    3.946800       1.453200      -1.896500    
 H    2.334400       1.302200       2.097000    
 H   -4.182000      -3.490500       1.257100    
 H   -5.352600       3.320400      0.1043000    
 H   -3.255300       3.983500      -1.016600    
 H  -0.3360000      -4.690600     -0.2003000    
 H   -2.483700      -5.236500      0.9149000    
 H    8.504900      -2.739500     -3.0000001E-04
 H    7.076700      -2.464900      -1.012400    
 H    8.418700      -1.303900      -1.035200    
 H    1.491100      -1.450600      -3.138400    
 H    3.167200     -0.8822000      -3.427300    
 H    1.916600     -0.6561000      -4.669700    
 H   -6.910900      0.7948000       2.896100    
 H   -5.271500       1.346300       2.931200    


%chk=000050345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050345

0 1
S 6.101970 0.517270 1.197209
O 1.378557 1.197175 -2.951985
O 7.602369 1.147623 1.263625
O 5.365142 -0.060845 2.527683
O -7.585427 0.957344 0.138829
N -0.327325 0.477650 -1.099993
N 4.888441 2.022534 0.495790
N -3.812903 -0.910507 0.959676
N -6.460435 -0.716056 1.308542
C -1.445591 0.012709 -0.375222
C -2.704231 0.675189 -0.579505
C -1.382953 -1.131323 0.484549
C -3.891250 0.151492 0.093523
C -2.608851 -1.529829 1.163251
C 0.963803 0.791902 -0.645382
C 6.133411 -0.963003 -0.097486
C 3.612399 1.592899 0.072430
C -5.175357 0.790492 -0.150204
C -2.823065 1.848248 -1.399582
C 1.910363 1.195180 -1.647685
C 6.691964 -2.215602 0.580742
C -0.208579 -1.943157 0.659339
C 1.368729 0.821064 0.715239
C 3.220961 1.555504 -1.304881
C 2.667229 1.219632 1.071669
C -2.576501 -2.654047 2.060382
C -5.233287 1.903765 -0.993284
C -4.064002 2.446427 -1.604888
C -0.219153 -3.041052 1.515269
C -1.408872 -3.388165 2.240870
C 6.689198 -3.413544 -0.400194
C -6.507538 0.349118 0.444968
C 2.238981 1.659048 -4.044253
H -0.490059 0.760133 -2.072400
H 6.766497 -0.566375 -0.908435
H 5.080974 -1.063864 -0.412072
H -1.927260 2.299104 -1.839873
H 5.479057 2.408132 -0.268452
H 7.721722 -2.019626 0.932785
H 6.081083 -2.451548 1.471102
H 0.701449 -1.697467 0.106302
H 0.652108 0.557948 1.497514
H 3.943317 1.840440 -2.077984
H 2.972584 1.266250 2.120296
H -3.505011 -2.914067 2.577882
H -6.219594 2.354132 -1.150174
H -4.145634 3.345368 -2.224532
H 0.683781 -3.648704 1.635869
H -1.396252 -4.244557 2.923515
H 7.090133 -4.311972 0.101995
H 5.666617 -3.648582 -0.748881
H 7.317535 -3.214389 -1.287666
H 3.116364 0.995255 -4.163085
H 2.574230 2.699362 -3.871187
H 1.614214 1.611409 -4.947616
H -7.333141 -1.036431 1.726294
H -5.527514 -1.140386 1.490761


