%chk=000111857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111857

1 1
 S    6.134800     -0.1385000      0.1670000    
 O    6.201900      0.4866000       1.673100    
 O    6.958500      -1.334400      0.1595000    
 O    6.360600      0.9339000     -0.7846000    
 N  -0.3022000      0.2562000     -0.5982000    
 N  -0.8426000      0.1153000      0.5221000    
 N   -6.033300      -1.810700     -0.1181000    
 N   -7.031800      -2.225500     -0.2418000    
 C    3.402300      0.2678000     -0.1556000    
 C    2.084400     -0.2221000     -0.3168000    
 C    4.464000     -0.6438000     -3.6699999E-02
 C    1.022700      0.6895000     -0.4357000    
 C    3.619700       1.654700     -0.1183000    
 C    1.867300      -1.609100     -0.3546000    
 C   -3.228900      0.5940000      0.2395000    
 C    4.230000      -2.018500     -7.5800002E-02
 C   -4.546600      0.1040000      7.7200003E-02
 C   -2.169400     -0.3183000      0.3589000    
 C    2.934000      -2.500300     -0.2348000    
 C    1.257000       2.064300     -0.3960000    
 C    2.553100       2.546000     -0.2376000    
 C   -4.763800      -1.282900      3.9299998E-02
 C   -3.011800       1.981000      0.2774000    
 C   -2.401300      -1.692400      0.3191000    
 C   -5.608400       1.015300     -4.1999999E-02
 C   -3.697200      -2.174200      0.1591000    
 C   -4.078600       2.872100      0.1568000    
 C   -5.374400       2.390200     -2.4000001E-03
 H    4.587700       2.109400      5.0700001E-02
 H   0.8719000      -2.026900     -0.4830000    
 H    5.028900      -2.747700      1.6500000E-02
 H    2.752000      -3.570700     -0.2662000    
 H   0.4353000       2.769900     -0.4879000    
 H    2.732500       3.616500     -0.1964000    
 H   -2.016500       2.398800      0.4066000    
 H   -1.579600      -2.397500      0.4141000    
 H   -6.634600      0.6785000     -0.1678000    
 H   -3.868900      -3.247000      0.1295000    
 H   -3.897500       3.942600      0.1889000    
 H   -6.204300       3.084600     -9.5600002E-02
 H    5.987000     -0.1413000       2.402400    


%chk=000111857-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111857

1 1
S 6.204287 0.508682 -0.531596
O 6.521904 -0.590624 0.926051
O 7.055829 0.018685 -1.811257
O 6.280988 2.045290 -0.031447
N -0.277013 -0.293377 0.560665
N -1.215067 -0.164607 1.456154
N -6.714014 -0.710715 0.852320
N -7.874505 -0.839558 0.758584
C 3.406255 0.290136 0.214675
C 2.061860 -0.183941 -0.059665
C 4.412287 -0.066433 -0.738910
C 1.014434 0.152503 0.892353
C 3.656542 1.061301 1.396180
C 1.809536 -0.965228 -1.228602
C -3.220672 0.268907 0.006712
C 4.174344 -0.829815 -1.872517
C -4.655819 0.134370 -0.125277
C -2.563956 -0.286256 1.186913
C 2.842344 -1.283105 -2.115686
C 1.303834 0.911053 2.055864
C 2.617640 1.360925 2.297699
C -5.371175 -0.546536 0.949593
C -2.502769 0.944832 -1.028619
C -3.332311 -0.904949 2.224292
C -5.310119 0.644349 -1.280492
C -4.710679 -1.054473 2.112182
C -3.165100 1.439041 -2.158923
C -4.573170 1.285402 -2.286951
H 4.667595 1.427395 1.596923
H 0.791511 -1.316996 -1.413732
H 4.992238 -1.070245 -2.559983
H 2.638841 -1.886777 -3.005024
H 0.493931 1.133975 2.757755
H 2.836184 1.947294 3.194772
H -1.422274 1.076068 -0.937525
H -2.804958 -1.275707 3.106772
H -6.395455 0.547003 -1.393025
H -5.286717 -1.552776 2.896885
H -2.601445 1.954645 -2.941755
H -5.086742 1.681292 -3.168326
H 7.495478 -0.541629 1.157767


