%chk=000100623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100623

0 1
 S   -3.173000       1.893900     -0.5318000    
 O  -0.5604000       1.790400     -0.1461000    
 O    4.901400      -1.357400     -0.4810000    
 O   -1.589700       3.749800      0.4590000    
 N   -2.615200     -0.1825000       1.051600    
 N   -2.946900     -0.6571000      -1.287600    
 C    1.805100       1.350400      7.5199999E-02
 C   0.6924000       2.322800      0.2747000    
 C    2.511300       1.335600      -1.127600    
 C    2.139000      0.4550000       1.091200    
 C    3.885600     -0.4702000     -0.2982000    
 C    3.551600      0.4253000      -1.314200    
 C    3.179400     -0.4553000      0.9045000    
 C   -2.399000      -1.499400       1.250100    
 C   -2.720400      -1.959300      -1.017400    
 C   -2.438800      -2.443000      0.2440000    
 C   -2.879200      0.1624000     -0.2222000    
 C   -2.102500      -1.927100       2.648100    
 C   -2.785400      -2.904500      -2.169700    
 C   -1.645900       2.614900     -6.9999998E-04
 C    5.190700      -2.244700      0.5983000    
 H   0.6308000       2.599900       1.335200    
 H   0.9022000       3.243300     -0.2856000    
 H    2.259100       2.026500      -1.927700    
 H    1.593200      0.4551000       2.031200    
 H    4.097800      0.4180000      -2.253500    
 H    3.385500      -1.122900       1.734100    
 H   -2.260800      -3.494800      0.4321000    
 H   -1.114000      -2.394400       2.701500    
 H   -2.107900      -1.070900       3.330800    
 H   -2.855600      -2.641100       2.996200    
 H   -3.566100      -3.653800      -2.004200    
 H   -3.017300      -2.375400      -3.100000    
 H   -1.824400      -3.411800      -2.300700    
 H    4.346100      -2.909100      0.8103000    
 H    5.524000      -1.700300       1.488300    
 H    6.024600      -2.879100      0.2806000    


%chk=000100623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100623

0 1
S -2.917890 1.283704 1.207118
O -0.710262 1.799750 -0.242992
O 4.740560 -1.348113 1.171277
O -0.809001 2.908863 1.819590
N -1.558945 -0.970556 0.412850
N -3.795112 -0.642115 -0.490856
C 1.756487 1.408688 -0.037529
C 0.687720 2.360748 -0.500976
C 2.283467 0.425623 -0.918082
C 2.254117 1.467657 1.287183
C 3.756348 -0.406313 0.843088
C 3.273159 -0.475434 -0.489436
C 3.245984 0.569864 1.736312
C -1.442571 -2.145881 -0.285364
C -3.699764 -1.838774 -1.162153
C -2.512990 -2.609785 -1.093271
C -2.714389 -0.282711 0.245610
C -0.148934 -2.902320 -0.118418
C -4.906458 -2.257783 -1.964184
C -1.264703 2.110210 0.979601
C 5.278901 -1.321573 2.534835
H 0.741494 3.338621 0.006507
H 0.678666 2.486618 -1.594375
H 1.912819 0.367749 -1.948795
H 1.849557 2.215599 1.978483
H 3.694373 -1.229938 -1.160828
H 3.607488 0.639270 2.766342
H -2.427641 -3.550416 -1.644074
H 0.708421 -2.231059 -0.302116
H -0.052076 -3.259646 0.923336
H -0.089413 -3.769595 -0.796459
H -5.785523 -2.356686 -1.302270
H -5.155540 -1.480538 -2.708315
H -4.740741 -3.215070 -2.484833
H 4.485468 -1.508545 3.283976
H 5.775617 -0.356219 2.751733
H 6.018608 -2.134691 2.566284


