%chk=000127902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127902

0 1
 S   -3.275000       1.166400      0.9641000    
 O    5.231600       1.409400      -1.694900    
 O    6.619100       1.611700      0.2651000    
 N    1.185800      -1.424400     -0.1749000    
 N   -1.526700     -0.5325000     -0.1434000    
 N   -3.840600     -0.7296000     -0.6905000    
 C   0.7945000     -0.2496000      0.6150000    
 C   8.0399998E-02  -2.390400     -0.2271000    
 C  -0.4381000      0.4352000      1.6799999E-02
 C   -1.161000      -1.759500     -0.8599000    
 C    2.384400      -2.045500      0.3873000    
 C   -2.846500     -0.1498000     -4.8500001E-02
 C    3.530700      -1.072500      0.3894000    
 C    3.773400     -0.3016000     -0.7431000    
 C    4.331800     -0.9618000       1.532900    
 C    4.836400      0.5767000     -0.6935000    
 C   -4.929800      0.9643000      0.5233000    
 C   -5.037000     -0.1032000     -0.3732000    
 C    5.628800      0.6922000      0.4256000    
 C    5.402000     -6.4400002E-02   1.556900    
 C   -6.052000       1.697700      0.9408000    
 C   -6.313900     -0.4470000     -0.8677000    
 C    6.361100       2.062400      -1.080200    
 C   -7.303900       1.336900      0.4363000    
 C   -7.435400      0.2788000     -0.4563000    
 H    1.578800      0.5129000      0.6560000    
 H   0.5766000     -0.5410000       1.652000    
 H  -0.1645000      -2.756000      0.7793000    
 H   0.3702000      -3.259000     -0.8306000    
 H  -0.6823000       1.276800      0.6710000    
 H  -0.1912000      0.8596000     -0.9653000    
 H  -0.9771000      -1.523900      -1.915800    
 H   -1.973900      -2.495100     -0.8245000    
 H    2.684800      -2.909200     -0.2197000    
 H    2.189100      -2.415800       1.402500    
 H    3.174000     -0.3832000      -1.643100    
 H    4.133200      -1.570100       2.411400    
 H    6.029000      2.9300001E-02   2.436300    
 H   -5.956900       2.524900       1.637400    
 H   -6.428100      -1.271800      -1.565500    
 H    6.173200       3.142100      -1.058700    
 H    7.251200       1.872300      -1.690800    
 H   -8.185500       1.891700      0.7465000    
 H   -8.417200      1.2700000E-02 -0.8382000    


%chk=000127902-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127902

0 1
S -3.420766 1.655019 0.575968
O 5.626278 1.265193 -1.608215
O 7.058964 1.207949 0.322572
N 1.082723 -1.154875 -0.172973
N -1.555095 -0.118601 -0.592739
N -3.867348 -0.729789 -0.656479
C 0.607335 0.020235 0.598394
C -0.041491 -2.072013 -0.487177
C -0.460874 0.788595 -0.205995
C -1.118220 -1.338871 -1.308598
C 2.218787 -1.851184 0.479645
C -2.882167 0.091872 -0.326797
C 3.497214 -1.019106 0.502034
C 3.860004 -0.258723 -0.649740
C 4.343020 -1.040285 1.637026
C 5.063838 0.441946 -0.598663
C -5.121565 1.014400 0.432958
C -5.122977 -0.248317 -0.249781
C 5.906535 0.409196 0.533886
C 5.573869 -0.325592 1.672651
C -6.304731 1.611962 0.898531
C -6.356222 -0.910061 -0.460871
C 6.912149 1.763325 -1.050301
C -7.528331 0.933054 0.677445
C -7.548475 -0.315219 0.003719
H 1.465251 0.687155 0.794740
H 0.173842 -0.284917 1.584509
H -0.512122 -2.484832 0.440434
H 0.347142 -2.920992 -1.079867
H -0.856690 1.622195 0.397785
H 0.005521 1.209697 -1.119439
H -0.695219 -1.047351 -2.290949
H -2.002265 -1.974858 -1.468561
H 2.396351 -2.780912 -0.098341
H 1.972092 -2.169145 1.524197
H 3.198656 -0.229910 -1.519431
H 4.045455 -1.622934 2.516383
H 6.224986 -0.343602 2.550082
H -6.290984 2.574951 1.418573
H -6.361079 -1.872231 -0.981645
H 6.875046 2.864712 -0.989407
H 7.742643 1.395359 -1.677543
H -8.463346 1.380157 1.031351
H -8.504239 -0.825554 -0.158875


