%chk=000030341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030341

0 1
 S   -3.626800      0.3236000      0.6111000    
 O   -4.265100     -0.8766000       1.116000    
 O   -3.764100       1.584200       1.315100    
 O    2.596700      -1.879100     -0.5727000    
 N    4.470500     -0.1868000      0.5599000    
 N    3.102800      1.9300001E-02  0.6619000    
 C   -4.163200      0.5845000      -1.058800    
 C   -1.904200     -3.0700000E-02  0.4486000    
 C   -5.640600      0.9474000      -1.087200    
 C   -3.877300     -0.6487000      -1.902900    
 C   -1.495800      -1.343600      0.2834000    
 C  -0.9917000       1.010100      0.4903000    
 C   0.7970000     -0.5873000      0.1962000    
 C  -0.1353000      -1.623900      0.1563000    
 C   0.3689000      0.7298000      0.3632000    
 C    5.105800      0.9587000     -7.7299997E-02
 C    2.215300     -0.8794000      6.2799998E-02
 C    4.587400       1.125800      -1.502900    
 C    6.619700      0.7728000     -6.2899999E-02
 H   -3.589600       1.433800      -1.447700    
 H   -5.973100       1.146400      -2.111400    
 H   -6.259300      0.1394000     -0.6815000    
 H   -5.838700       1.845400     -0.4925000    
 H   -4.311500     -0.5333000      -2.902600    
 H   -4.300200      -1.558600      -1.464500    
 H   -2.805600     -0.8038000      -2.051500    
 H   -2.204300      -2.165500      0.2486000    
 H   -1.307300       2.042400      0.6063000    
 H    4.879300       1.872500      0.4880000    
 H   0.1784000      -2.657000      3.0700000E-02
 H    1.059400       1.568100      0.3693000    
 H    4.824200     -0.2941000       1.510100    
 H    5.122200       1.936200      -2.011000    
 H    4.733400      0.2141000      -2.093600    
 H    3.523000       1.382400      -1.528400    
 H    6.995900      0.6789000      0.9619000    
 H    7.119600       1.633200     -0.5209000    
 H    6.919900     -0.1237000     -0.6173000    
 H    2.795500      0.8000000       1.233300    


%chk=000030341-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030341

0 1
S -3.711589 0.262891 0.594157
O -4.384919 -1.094902 1.221857
O -3.831845 1.719702 1.340907
O 2.711766 -1.949567 -0.666112
N 4.610995 -0.149667 0.486099
N 3.213023 -0.035875 0.606384
C -4.446554 0.499187 -1.255362
C -1.857727 -0.083865 0.373200
C -5.806316 1.168678 -1.064731
C -4.457805 -0.876116 -1.914385
C -1.430141 -1.419553 0.284776
C -0.982330 1.013210 0.362399
C 0.875190 -0.582532 0.142408
C -0.046394 -1.661118 0.155190
C 0.401283 0.752539 0.243439
C 5.308803 1.059373 -0.030913
C 2.342550 -0.925706 -0.027887
C 4.921018 1.305998 -1.501189
C 6.822758 0.822457 0.134151
H -3.695617 1.187043 -1.683294
H -6.208063 1.459222 -2.053727
H -6.525081 0.478729 -0.588712
H -5.720140 2.075586 -0.441708
H -4.944815 -0.798512 -2.904814
H -5.035227 -1.591662 -1.301881
H -3.441154 -1.277981 -2.067869
H -2.158157 -2.235364 0.345266
H -1.373135 2.030537 0.470757
H 5.026896 1.964737 0.566566
H 0.342841 -2.679335 0.057280
H 1.098293 1.597081 0.196886
H 5.040641 -0.558833 1.327041
H 5.408142 2.222401 -1.881176
H 5.230784 0.446616 -2.120666
H 3.828235 1.426270 -1.609905
H 7.102552 0.682413 1.196234
H 7.388872 1.687324 -0.252276
H 7.128130 -0.076998 -0.429380
H 2.815433 0.692494 1.216390


