%chk=000126014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126014

0 1
 S   0.6674000       2.637900     -0.2504000    
 O    1.378000       3.631300      0.5319000    
 O   0.1965000       2.959600      -1.584000    
 N   -3.655700     -8.3899997E-02  0.1634000    
 N  -0.6281000       2.019100      0.6799000    
 C   -5.043700     -8.2300000E-02  0.6483000    
 C   -4.229800      -2.346600      0.2043000    
 C   -5.499500      -1.543100      0.5052000    
 C   -3.105500      -1.381400      0.5629000    
 C   -2.863100       1.021300      0.6880000    
 C   -5.929400      0.8669000     -0.1499000    
 C   -4.178300      -2.772500      -1.263800    
 C   -1.429200      0.9056000      0.1869000    
 C    1.707000       1.216000     -0.4000000    
 C    2.681700      0.9880000      0.5566000    
 C    1.527400      0.3595000      -1.468400    
 C    3.515700     -0.1371000      0.4520000    
 C    3.345800      -1.025800     -0.6362000    
 C    2.347100     -0.7632000      -1.588000    
 C    4.514500     -0.3997000       1.403700    
 C    4.179800      -2.150900     -0.7407000    
 C    5.334100      -1.522400       1.284200    
 C    5.167200      -2.396200      0.2141000    
 H   -5.088300      0.1892000       1.711900    
 H   -4.183700      -3.245700      0.8295000    
 H   -6.262500      -1.680300     -0.2693000    
 H   -5.933400      -1.881400       1.454200    
 H   -2.910400      -1.422600       1.642800    
 H   -2.190100      -1.649400      2.6100000E-02
 H   -3.279800       1.977700      0.3500000    
 H   -2.873200       1.039800       1.785900    
 H   -5.618900       1.908200     -1.7700000E-02
 H   -5.898300      0.6387000      -1.221300    
 H   -6.971000      0.7869000      0.1793000    
 H   -3.245900      -3.305600      -1.477400    
 H   -5.009700      -3.446200      -1.496900    
 H   -4.240300      -1.914900      -1.942200    
 H  -0.9442000     -4.9000001E-03  0.5518000    
 H   -1.426800      0.8881000     -0.9084000    
 H  -0.5813000       2.125900       1.700900    
 H    2.804700       1.668500       1.395900    
 H   0.7631000      0.5296000      -2.220200    
 H    2.198100      -1.433500      -2.432100    
 H    4.663200      0.2697000       2.248500    
 H    4.067300      -2.847500      -1.568900    
 H    6.102900      -1.714100       2.027100    
 H    5.805600      -3.270000      0.1216000    


%chk=000126014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126014

0 1
S 0.678375 2.539311 -0.161557
O 1.371833 3.643442 0.808344
O 0.100445 2.861997 -1.643887
N -3.855340 -0.155042 0.250020
N -0.767728 1.931573 0.794600
C -5.308729 0.005060 0.580145
C -4.793616 -2.393611 0.223528
C -5.902540 -1.310384 0.024376
C -3.520601 -1.566120 0.586712
C -2.962233 0.845491 0.859822
C -5.934870 1.266971 -0.033075
C -4.604050 -3.279399 -1.026065
C -1.581788 0.869893 0.162490
C 1.920071 1.112350 -0.358329
C 2.940355 1.007341 0.576009
C 1.761634 0.237190 -1.467996
C 3.890023 -0.057867 0.436190
C 3.751201 -0.984923 -0.672066
C 2.679173 -0.805609 -1.610231
C 4.973981 -0.226098 1.359871
C 4.704680 -2.047354 -0.807548
C 5.885331 -1.271793 1.200221
C 5.748891 -2.189305 0.109142
H -5.452209 0.029706 1.693857
H -5.055481 -3.043732 1.080176
H -6.108727 -1.180855 -1.054934
H -6.851470 -1.575777 0.523232
H -3.285696 -1.671099 1.678013
H -2.634663 -1.906905 0.020241
H -3.402410 1.850377 0.748433
H -2.823242 0.660960 1.959433
H -5.537355 2.196458 0.412993
H -5.739911 1.293011 -1.120143
H -7.028324 1.265089 0.129296
H -3.846451 -4.067667 -0.856535
H -5.550861 -3.776781 -1.308873
H -4.274220 -2.664063 -1.884058
H -1.101134 -0.131431 0.206381
H -1.733199 1.142848 -0.895911
H -0.456300 1.759344 1.764691
H 3.032986 1.743301 1.383200
H 0.961827 0.413005 -2.193957
H 2.592387 -1.496754 -2.456327
H 5.078249 0.479657 2.191931
H 4.604562 -2.747259 -1.645393
H 6.711532 -1.394604 1.908506
H 6.472612 -3.003645 -0.003865


