%chk=000003325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003325

0 1
 S   0.9743000      -2.046000       1.129400    
 S    2.494900       2.042000     -0.1266000    
 S   -3.804600      -1.770800     -5.9099998E-02
 O    3.584200       2.635700     -0.8849000    
 O    2.455400       2.219900       1.316100    
 N    2.432700      0.4437000     -0.4610000    
 N   -1.606200     -0.5556000     -0.6697000    
 N    4.564900     -4.5499999E-02  0.5428000    
 N   -3.583100      0.7639000     -0.7522000    
 N    1.042700       2.735200     -0.7407000    
 N   -4.388300       2.792500      0.2889000    
 N   -3.226800       1.248900       1.501500    
 C    3.219000      -1.823000     -0.4981000    
 C    2.616600      -2.649000      0.6343000    
 C   0.1248000      -2.281700     -0.4480000    
 C    3.398400     -0.3562000     -0.1167000    
 C   -1.306300      -1.861200     -0.3678000    
 C   -2.348600      -2.676100     -1.5699999E-02
 C   -2.904000     -0.3916000     -0.5400000    
 C   -3.739800       1.575000      0.2675000    
 H    2.651600      -1.900100      -1.429700    
 H    4.211400      -2.231600     -0.7295000    
 H    2.540100      -3.700900      0.3411000    
 H    3.261600      -2.601500       1.518100    
 H   0.1888000      -3.335300     -0.7415000    
 H   0.5931000      -1.684100      -1.233800    
 H   -2.338700      -3.721800      0.2570000    
 H    5.255000     -0.7547000      0.7671000    
 H    4.774800      0.9027000      0.8348000    
 H   0.1716000       2.461800     -0.2678000    
 H   0.9431000       2.752900      -1.763900    
 H   -4.819600       3.170000     -0.5478000    
 H   -4.451700       3.344400       1.137300    
 H   -3.346500       1.875500       2.290500    
 H   -2.715600      0.3936000       1.687400    


%chk=000003325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003325

0 1
S 0.927644 -2.534735 1.021726
S 1.462426 2.007831 -0.706400
S -3.853692 -1.820824 -0.519304
O 2.159320 3.121719 -1.642323
O 1.251560 2.338534 0.906198
N 2.300914 0.321442 -0.931218
N -1.476607 -0.617088 -0.284011
N 3.122163 0.345257 1.363362
N -3.401823 0.809614 0.226297
N -0.136140 1.685555 -1.370892
N -3.341557 3.011635 0.950506
N -1.505021 1.628928 1.478225
C 3.455072 -1.613271 -0.146346
C 2.790874 -2.715882 0.717689
C 0.204323 -2.417540 -0.758435
C 2.928400 -0.206611 0.129949
C -1.217744 -1.953727 -0.644185
C -2.339852 -2.743562 -0.824056
C -2.796870 -0.349051 -0.134926
C -2.722408 1.787730 0.867125
H 3.283783 -1.811925 -1.216425
H 4.551600 -1.633496 0.016348
H 2.986563 -3.702025 0.263322
H 3.199002 -2.732849 1.744487
H 0.267953 -3.410728 -1.228275
H 0.817828 -1.680440 -1.302522
H -2.382496 -3.795901 -1.095823
H 3.567504 -0.197203 2.100544
H 2.615412 1.219138 1.593625
H -0.584103 0.808538 -0.972585
H -0.129426 1.796074 -2.393615
H -4.233125 3.117080 0.473086
H -2.953085 3.779778 1.490405
H -0.851833 2.406210 1.613885
H -1.047362 0.722796 1.333863


