%chk=000125614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125614

0 1
 S   -3.353500       1.675300      0.9825000    
 O   -2.048500      -2.899500      0.6263000    
 O    3.565400      0.5035000      -1.746900    
 O    1.696200      -2.416100       1.053800    
 N   -1.328700     -0.7613000     -5.2000000E-03
 N   -3.421400      -1.398500     -0.5355000    
 N    3.552800     -0.3213000      0.4214000    
 C   -1.861400      0.3618000     -0.7528000    
 C   -3.322600     -4.5200001E-02  -1.046200    
 C   -1.832100       1.695600     -1.4000000E-03
 C   -4.301400      0.8907000     -0.3406000    
 C  -0.6013000       1.942400      0.8551000    
 C   0.6800000       1.891400      2.2700001E-02
 C   -2.244100      -1.814900      9.4899997E-02
 C    1.918200       2.112900      0.8966000    
 C    3.216700       2.039300      9.4800003E-02
 C    3.470300      0.6801000     -0.5353000    
 C    3.764700      -1.704400      6.7199998E-02
 C    2.450600      -2.431800     -0.1512000    
 H   -1.280700      0.4247000      -1.680300    
 H   -3.533000     -8.8000000E-02  -2.120100    
 H   -1.939600       2.512900     -0.7253000    
 H   -5.183500      0.3791000      5.5199999E-02
 H   -4.633100       1.678200      -1.024900    
 H  -0.5353000       1.208900       1.669100    
 H  -0.6767000       2.928600       1.331700    
 H  -0.3744000     -0.8256000      0.3338000    
 H   -4.245000      -1.984300     -0.6320000    
 H   0.7708000      0.9284000     -0.4876000    
 H   0.6414000       2.662400     -0.7567000    
 H    1.854600       3.102900       1.364800    
 H    1.925200       1.382100       1.713100    
 H    3.210600       2.790600     -0.7034000    
 H    4.066100       2.271500      0.7484000    
 H    3.492100     -8.7800004E-02   1.407600    
 H    4.384100      -1.760800     -0.8338000    
 H    4.314500      -2.156300      0.8995000    
 H    1.852400      -1.962400     -0.9389000    
 H    2.630200      -3.475000     -0.4266000    
 H    1.567300      -1.485700       1.305300    


%chk=000125614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125614

0 1
S -3.842475 1.869705 0.805423
O -1.961931 -2.649127 0.369505
O 1.523241 -0.426949 -0.124915
O 4.823813 -2.879979 1.510900
N -1.412394 -0.437227 -0.334630
N -3.490338 -1.180071 -0.710056
N 3.827621 -0.552839 -0.111677
C -2.061270 0.698669 -0.993493
C -3.514265 0.145729 -1.328114
C -2.176230 1.995184 -0.114239
C -4.584577 1.101674 -0.744851
C -1.029937 2.183809 0.892092
C 0.345608 2.400815 0.211009
C -2.249647 -1.540366 -0.159135
C 1.529730 2.160837 1.187821
C 2.796592 1.611482 0.489892
C 2.645751 0.140637 0.065965
C 3.856379 -1.950829 -0.590435
C 3.709559 -2.973764 0.553852
H -1.525854 0.965944 -1.926287
H -3.664922 0.069783 -2.425578
H -2.257314 2.870117 -0.789588
H -5.509008 0.570867 -0.465870
H -4.824921 1.902808 -1.466555
H -0.986867 1.273269 1.518131
H -1.259191 3.033277 1.564751
H -0.397741 -0.497038 -0.181856
H -4.275696 -1.824510 -0.694320
H 0.444671 1.695668 -0.632070
H 0.404314 3.422143 -0.216798
H 1.787578 3.099753 1.714435
H 1.216234 1.437489 1.964265
H 3.015843 2.214293 -0.415671
H 3.679355 1.711190 1.152373
H 4.713972 -0.071984 0.049737
H 3.028926 -2.090960 -1.309471
H 4.817794 -2.114749 -1.108266
H 2.729109 -2.846583 1.052237
H 3.766966 -3.994236 0.140733
H 4.669419 -2.099529 2.099854


