%chk=000071202.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071202

0 1
 S    2.058800      0.1154000      0.6707000    
 O    1.411300      9.6900001E-02  -1.894300    
 N  -0.3663000      4.7800001E-02 -0.3856000    
 N    6.078600      0.3301000      0.2188000    
 C   -3.217800     -0.1086000      0.4329000    
 C   -2.487500       1.208600      0.1629000    
 C   -2.349600      -1.337700      0.1551000    
 C   -1.143000       1.243000     -0.2415000    
 C   -1.004100      -1.224800     -0.2322000    
 C   -3.649000     -0.1361000       1.920000    
 C   -4.471600     -0.1741000     -0.4793000    
 C   -3.179600       2.434100      0.3171000    
 C   -2.902100      -2.631800      0.3134000    
 C  -0.5583000       2.497400     -0.5308000    
 C  -0.2605000      -2.409200     -0.4414000    
 C   0.9845000      0.1128000     -0.7439000    
 C   -2.576700       3.660400      5.0700001E-02
 C   -2.154500      -3.785300      9.2200004E-02
 C   -1.264100       3.691100     -0.3836000    
 C  -0.8291000      -3.673100     -0.2860000    
 C    3.667300      0.2041000     -0.1453000    
 C    4.784100      0.2583000      0.8897000    
 C    6.267100     -0.8255000     -0.6590000    
 C    7.162000      0.4064000       1.199500    
 H   -2.777000     -9.1200002E-02   2.584700    
 H   -4.300000      0.7064000       2.178800    
 H   -4.206000      -1.045000       2.173600    
 H   -5.157200      0.6632000     -0.3101000    
 H   -4.188100     -0.1556000      -1.539300    
 H   -5.062600      -1.081600     -0.3153000    
 H   -4.215400       2.446700      0.6486000    
 H   -3.936900      -2.757700      0.6232000    
 H   0.4717000       2.574800     -0.8713000    
 H   0.7834000      -2.380400     -0.7439000    
 H   -3.135700       4.582500      0.1749000    
 H   -2.607800      -4.763200      0.2210000    
 H  -0.7827000       4.638800     -0.6052000    
 H  -0.2323000      -4.563400     -0.4598000    
 H    3.729100     -0.6887000     -0.7728000    
 H    3.697900       1.089700     -0.7897000    
 H    4.652700       1.151100       1.514700    
 H    4.735900     -0.6171000       1.551900    
 H    6.065900      -1.776600     -0.1526000    
 H    7.300600     -0.8600000      -1.025600    
 H    5.655200     -0.7570000      -1.563600    
 H    7.206900     -0.4842000       1.836900    
 H    7.038500       1.285100       1.842400    
 H    8.129200      0.5212000      0.6976000    


%chk=000071202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071202

0 1
S 1.864451 1.798079 -0.488597
O 1.892633 -0.851294 -1.227958
N -0.257113 0.063860 -0.991054
N 5.404000 0.100111 0.953956
C -2.332047 -0.199941 0.892765
C -2.211806 1.099879 0.072000
C -2.020251 -1.367754 -0.069492
C -1.124662 1.212223 -0.837421
C -0.931464 -1.223778 -0.974834
C -1.245347 -0.179595 2.025325
C -3.717760 -0.345585 1.561562
C -3.112227 2.185344 0.167960
C -2.731726 -2.589605 -0.080110
C -0.964198 2.355658 -1.651913
C -0.551825 -2.267226 -1.846739
C 1.143327 0.128714 -0.987317
C -2.935120 3.352705 -0.608448
C -2.359198 -3.644884 -0.942945
C -1.860430 3.436794 -1.521529
C -1.264845 -3.484874 -1.821279
C 3.671441 1.238442 -0.402402
C 4.016794 0.619066 0.965520
C 5.514534 -1.238534 0.336488
C 6.073736 0.163808 2.267222
H -0.228341 -0.054793 1.617761
H -1.441281 0.658526 2.718451
H -1.277285 -1.126084 2.594721
H -3.902900 0.490758 2.258249
H -4.535806 -0.371236 0.819388
H -3.761792 -1.270621 2.162527
H -3.962955 2.124742 0.852310
H -3.583641 -2.728117 0.591968
H -0.150730 2.395734 -2.381955
H 0.291705 -2.127642 -2.524926
H -3.641072 4.184678 -0.511922
H -2.921922 -4.584682 -0.929412
H -1.730229 4.327743 -2.144758
H -0.971230 -4.297914 -2.493865
H 3.807031 0.512995 -1.219750
H 4.271807 2.140502 -0.600639
H 3.934880 1.397838 1.745864
H 3.269738 -0.173953 1.210124
H 5.048219 -2.042313 0.960181
H 6.579352 -1.491805 0.184683
H 5.014761 -1.249605 -0.646330
H 5.614599 -0.507087 3.037470
H 6.047744 1.198329 2.653277
H 7.133649 -0.129603 2.155024


