%chk=000063856.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063856

0 1
 S    2.342200       1.753400       1.130800    
 O   -1.001000       3.522000      0.4220000    
 O   -3.162500       1.959700     -0.3020000    
 N   0.2499000       1.726000     -0.4094000    
 N   -1.626400      0.3427000     -0.9805000    
 N   -2.104200      -1.972200     -0.7226000    
 N    1.901600      6.5899998E-02 -0.8620000    
 C  -0.6641000       1.332800      -1.438300    
 C    1.450400       1.070000     -0.1932000    
 C  -6.3000000E-03   2.802700      0.4513000    
 C    1.091300       3.010700       1.462600    
 C   -2.834100      0.7845000     -0.4337000    
 C   -3.747700     -0.2959000      4.1999999E-03
 C   -3.344200      -1.628000     -0.1588000    
 C   -1.332700      -1.004100      -1.093100    
 C   -4.989300      1.3100000E-02  0.5695000    
 C   -4.206900      -2.649000      0.2550000    
 C    3.151700     -0.4310000     -0.4523000    
 C   -5.836900      -1.016300      0.9763000    
 C   -5.447000      -2.345100      0.8196000    
 C    3.214200      -1.431100      0.5126000    
 C    4.315800      8.1500001E-02  -1.015600    
 C    5.625100      -1.414500      0.3574000    
 C    4.454100      -1.924200      0.9184000    
 C    5.555900     -0.4117000     -0.6096000    
 C    6.950900      -1.941900      0.7912000    
 H   -1.200500       2.217800      -1.798300    
 H  -0.1026000      0.9131000      -2.280800    
 H    1.517600       4.009600       1.341600    
 H   0.6889000       2.887000       2.471000    
 H  -0.3563000      -1.224900      -1.548000    
 H   -5.311100       1.042400      0.7001000    
 H   -3.917300      -3.690700      0.1397000    
 H   -6.802200     -0.7826000       1.415900    
 H   -6.108600      -3.145900       1.137200    
 H    2.306900      -1.836500      0.9526000    
 H    4.271400      0.8607000      -1.771800    
 H    4.494800      -2.707300       1.670900    
 H    6.460800     -8.0000004E-03  -1.055800    
 H    6.922300      -2.272300       1.835200    
 H    7.242000      -2.789400      0.1629000    
 H    7.725300      -1.170500      0.7209000    


%chk=000063856-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063856

0 1
S 1.980685 2.575604 1.665743
O -1.006014 4.488044 -0.175284
O -2.794673 1.832433 0.350921
N 0.145334 2.436891 -0.306105
N -1.365318 0.666757 -1.095744
N -1.538505 -1.708024 -1.494640
N 1.713032 0.686941 -0.480142
C -0.664127 1.924613 -1.422495
C 1.277671 1.724367 0.149783
C -0.149906 3.691012 0.272116
C 0.718143 3.968448 1.496050
C -2.470613 0.731672 -0.183707
C -3.140101 -0.564440 0.032040
C -2.656225 -1.740220 -0.631494
C -0.955257 -0.542284 -1.678059
C -4.264982 -0.644314 0.893998
C -3.314730 -2.981085 -0.415075
C 2.793727 -0.152267 -0.109433
C -4.906458 -1.877248 1.096588
C -4.427722 -3.046461 0.439660
C 3.102018 -0.496939 1.235972
C 3.569713 -0.718340 -1.155371
C 4.974462 -1.916306 0.478121
C 4.177080 -1.365754 1.514319
C 4.648695 -1.573975 -0.861085
C 6.113031 -2.872033 0.787337
H -1.403052 2.714991 -1.641512
H -0.014538 1.730530 -2.291068
H 1.237313 4.931411 1.377748
H 0.082622 3.997786 2.395121
H -0.069236 -0.476636 -2.315973
H -4.609298 0.272295 1.384080
H -2.927446 -3.865354 -0.929704
H -5.775382 -1.941620 1.759802
H -4.931967 -4.005263 0.602811
H 2.488183 -0.111875 2.057893
H 3.319074 -0.464837 -2.190601
H 4.397807 -1.624517 2.557081
H 5.244942 -1.988793 -1.682750
H 6.557563 -2.666905 1.777095
H 5.760340 -3.922018 0.797422
H 6.915318 -2.803788 0.031641


