%chk=000054997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054997

0 1
 S   -1.570500      -2.908800      0.6594000    
 O    1.493800      -2.586900       1.156400    
 N    1.351000      -1.008700     -0.5781000    
 N   -3.533300      -1.093300      0.9434000    
 N   -2.072500     -0.5655000     -0.6464000    
 C    2.391700     -0.1005000     -0.2687000    
 C    2.120700      0.9973000      0.5341000    
 C    3.664000     -0.3243000     -0.7731000    
 C    4.429900       1.679500      0.3385000    
 C    3.145700       1.892600      0.8394000    
 C    4.689100      0.5711000     -0.4677000    
 C   0.7555000       1.252200       1.086400    
 C    3.973600      -1.503200      -1.638200    
 C   -3.969600      9.9799998E-02  0.4269000    
 C    5.526000       2.636100      0.6658000    
 C   0.9799000      -2.144200      0.1321000    
 C   -3.041100      0.4082000     -0.5635000    
 C  -0.1847000      -2.862800     -0.5150000    
 C   -2.398100      -1.449500      0.2700000    
 C   -5.063200      0.9110000      0.7318000    
 C   -3.197200       1.592300      -1.303600    
 C   -5.203100       2.085500     -1.4900000E-02
 C   -4.287900       2.422000      -1.014900    
 H    2.949600       2.757100       1.469300    
 H    5.692800      0.4077000     -0.8530000    
 H   0.7068000     -0.6701000      -1.289400    
 H   0.7249000       2.160900       1.697300    
 H   0.4360000      0.4217000       1.724500    
 H   3.4499999E-02   1.384100      0.2734000    
 H    3.869400      -2.432000      -1.067900    
 H    3.303400      -1.532900      -2.503900    
 H    4.997600      -1.467400      -2.025900    
 H    6.262500       2.685700     -0.1435000    
 H    5.137000       3.650400      0.8062000    
 H    6.034300       2.325100       1.583900    
 H  -0.4760000      -2.430000      -1.476200    
 H   0.1357000      -3.891500     -0.7124000    
 H   -3.972100      -1.616900       1.688900    
 H   -5.772200      0.6476000       1.508400    
 H   -2.491000       1.862800      -2.082100    
 H   -6.040600       2.748600      0.1879000    
 H   -4.423100       3.341800      -1.578100    


%chk=000054997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054997

0 1
S -1.456959 -2.913722 1.051374
O 2.227454 -3.056535 0.225799
N 1.102664 -1.035201 -0.239985
N -3.545206 -1.069184 0.843506
N -1.708507 -0.504461 -0.378923
C 2.196473 -0.116554 -0.056480
C 2.039848 0.933954 0.895536
C 3.381595 -0.220517 -0.840247
C 4.286847 1.781909 0.307511
C 3.087636 1.869005 1.055930
C 4.407583 0.734478 -0.635241
C 0.779708 1.040961 1.736294
C 3.550713 -1.298299 -1.891128
C -3.864456 0.154675 0.222250
C 5.417853 2.773035 0.524436
C 1.180416 -2.403598 -0.073986
C -2.701323 0.492455 -0.548636
C -0.144623 -3.145109 -0.322744
C -2.251705 -1.414118 0.448994
C -5.010969 0.971333 0.257519
C -2.675344 1.680125 -1.311294
C -4.968538 2.155051 -0.512548
C -3.821217 2.503375 -1.281920
H 2.968963 2.675718 1.790548
H 5.320910 0.658507 -1.239124
H 0.139380 -0.648856 -0.392624
H 0.901759 1.794833 2.532591
H 0.532645 0.072329 2.209363
H -0.099858 1.332780 1.130542
H 3.731552 -2.278535 -1.412930
H 2.637099 -1.408279 -2.505197
H 4.395530 -1.066074 -2.561884
H 6.009238 2.920208 -0.396783
H 5.037776 3.758279 0.848233
H 6.115198 2.416363 1.307739
H -0.631022 -2.840700 -1.264053
H 0.054254 -4.226475 -0.315089
H -4.155648 -1.631676 1.433914
H -5.895998 0.712400 0.847460
H -1.793220 1.945923 -1.901415
H -5.838102 2.820882 -0.517387
H -3.831201 3.431915 -1.862423


