%chk=000004759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004759

0 1
 S   -2.680500      0.3917000      -2.113300    
 O   -2.632100      -2.532800       1.169900    
 O   -3.770400      0.7778000       2.401600    
 O   -5.858400      0.9953000       1.513100    
 O    1.396500     -0.6951000      -1.800400    
 O    3.792600     -0.9060000     -0.6466000    
 N   -2.671200     -0.3077000      0.3839000    
 N   0.2607000      -1.465200      7.1199998E-02
 C   -1.672700      6.9100000E-02 -0.6215000    
 C   -4.104800      0.9775000      -1.067700    
 C   -4.061500      5.5399999E-02  0.1713000    
 C   -1.087500      -1.342200     -0.4764000    
 C   -2.210600      -1.581900      0.5515000    
 C   -3.876300       2.462500     -0.7502000    
 C   -5.405600      0.8040000      -1.854600    
 C   -4.688200      0.6581000       1.411200    
 C    1.406600      -1.125700     -0.6491000    
 C    2.691000      -1.322700      0.1427000    
 C    2.890900      -2.785700      0.5048000    
 C    4.569000      9.7300000E-02 -0.1947000    
 C    4.022800       1.365100      5.0099999E-02
 C    5.936200     -0.1098000      3.7200000E-02
 C    4.827200       2.404600      0.5172000    
 C    6.740500      0.9296000      0.5044000    
 C    6.186000       2.186800      0.7444000    
 H   -1.041500      0.8993000     -0.2901000    
 H   -4.602700     -0.8819000     -1.8500000E-02
 H   -1.203700      -1.988700      -1.355700    
 H   -2.975300       2.625000     -0.1482000    
 H   -3.779800       3.057800      -1.666200    
 H   -4.720700       2.881900     -0.1917000    
 H   -5.405300       1.404800      -2.771500    
 H   -5.573600     -0.2413000      -2.138500    
 H   -6.267900       1.122000      -1.258000    
 H   0.3817000      -1.783600       1.029500    
 H    2.612000     -0.7393000       1.070100    
 H   -4.156900       1.168900       3.213800    
 H    2.899000      -3.411800     -0.3950000    
 H    2.107900      -3.160900       1.170100    
 H    3.858000      -2.929600      0.9989000    
 H    2.967400       1.554000     -0.1294000    
 H    6.376200      -1.086600     -0.1470000    
 H    4.395800       3.384000      0.7023000    
 H    7.798600      0.7600000      0.6813000    
 H    6.812400       2.996100       1.107800    


%chk=000004759-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004759

0 1
S -2.167353 0.698701 -2.101781
O -2.502325 -2.650963 0.939501
O -3.861158 1.212862 2.251282
O -5.923964 0.886612 1.233886
O 1.763563 -1.820938 -1.505790
O 4.158713 -1.501496 0.161749
N -2.551024 -0.290911 0.349578
N 0.527271 -1.332066 0.406043
C -1.399120 0.231929 -0.431577
C -3.790344 1.221302 -1.154883
C -3.903034 0.169315 0.041598
C -0.724342 -1.189479 -0.305377
C -2.034915 -1.607145 0.452173
C -3.612619 2.671901 -0.656006
C -4.987473 1.091556 -2.111469
C -4.678877 0.772427 1.213499
C 1.703496 -1.694136 -0.254411
C 2.890018 -2.007289 0.692570
C 3.070190 -3.528324 0.802908
C 4.395383 -0.111620 0.150406
C 3.470676 0.873310 0.575581
C 5.677901 0.264890 -0.317874
C 3.846402 2.237148 0.533189
C 6.035365 1.626321 -0.356130
C 5.123172 2.622755 0.071968
H -0.857656 1.080879 0.010496
H -4.508293 -0.690121 -0.305386
H -0.625306 -1.681832 -1.288367
H -2.769655 2.767235 0.049720
H -3.419677 3.335583 -1.514870
H -4.532319 3.025741 -0.151194
H -4.907613 1.820146 -2.936942
H -5.050097 0.078632 -2.545369
H -5.925415 1.295933 -1.562335
H 0.524218 -1.255520 1.425784
H 2.706695 -1.560672 1.695172
H -4.431064 1.597269 2.972739
H 3.276503 -3.945161 -0.196553
H 2.159346 -4.004499 1.207004
H 3.919514 -3.756429 1.467991
H 2.467620 0.604949 0.919813
H 6.367420 -0.519229 -0.645006
H 3.129392 2.998816 0.860528
H 7.028389 1.911194 -0.720975
H 5.404198 3.680527 0.041120


