%chk=000109832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109832

0 1
 S    9.233500      0.9725000       1.172400    
 O   0.2956000       1.728400      -1.741800    
 O    9.756700       2.004700      1.7300000E-02
 O    8.495900       1.764200       2.146100    
 O    10.35970      0.1497000       1.586000    
 N   -7.678200      0.8571000      0.2019000    
 N   -2.234500     -0.4390000      0.3788000    
 N   -1.646900      4.0899999E-02 -0.6190000    
 N    3.782000      -1.290700     -0.4173000    
 N    4.481000     -0.2508000     -0.3843000    
 N   -10.94960      -2.687700      0.7375000    
 C   -8.664300     -3.6499999E-02  0.7762000    
 C   -8.120400       2.083800     -0.4308000    
 C   -6.306800      0.5305000      0.2463000    
 C   -9.147300      -1.049200     -0.2567000    
 C   -7.944700       3.253600      0.5183000    
 C   -5.366400       1.390500     -0.3211000    
 C   -5.891000     -0.6523000      0.8577000    
 C   -4.010200       1.067500     -0.2769000    
 C   -4.534900     -0.9752000      0.9018000    
 C   -3.594300     -0.1152000      0.3346000    
 C   -10.15460      -1.964500      0.3002000    
 C  -0.2804000     -0.2845000     -0.5740000    
 C   0.6709000      0.5667000      -1.136600    
 C    8.100900     -8.2900003E-02  0.3657000    
 C    2.425800     -0.9540000     -0.4695000    
 C   0.1214000      -1.470300      4.0899999E-02
 C    2.023800      0.2319000      -1.084200    
 C    5.844000     -0.5897000     -0.3315000    
 C    6.748400      0.2540000      0.3134000    
 C    1.474400      -1.805100      9.3099996E-02
 C    8.549000      -1.263500     -0.2270000    
 C    6.292000      -1.770400     -0.9241000    
 C    7.644600      -2.107200     -0.8718000    
 C   0.2249000       2.892700     -0.9214000    
 H   -9.532200      0.5594000       1.095500    
 H   -8.339000     -0.5091000       1.710100    
 H   -7.633200       2.262700      -1.395900    
 H   -9.187800       2.008600     -0.6767000    
 H   -9.573000     -0.5269000      -1.122000    
 H   -8.303800      -1.636700     -0.6373000    
 H   -8.315800       4.172600      5.2800000E-02
 H   -6.902100       3.422300      0.8009000    
 H   -8.512200       3.094900       1.442100    
 H   -5.622900       2.323700     -0.8097000    
 H   -6.568700      -1.373300       1.299900    
 H   -3.308800       1.775100     -0.7123000    
 H   -4.219000      -1.900800       1.376100    
 H  -0.5864000      -2.173700      0.4724000    
 H    2.735800      0.9080000      -1.552600    
 H    6.386100       1.174100      0.7649000    
 H    1.778700      -2.733300      0.5696000    
 H    9.598700      -1.542600     -0.2071000    
 H    5.625000      -2.445000      -1.454900    
 H    7.995000      -3.023000      -1.339000    
 H  -9.9799998E-02   3.731000      -1.543800    
 H    1.209200       3.127400     -0.5039000    
 H  -0.5019000       2.754400     -0.1148000    
 H    10.41010       2.678100      0.3200000    


%chk=000109832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109832

0 1
S 9.914339 1.022780 -0.316485
O 0.667218 2.461964 -0.055745
O 9.957676 1.145322 -2.171294
O 9.406943 2.438317 0.279321
O 11.308469 0.373064 0.186731
N -7.897678 0.815202 -0.146813
N -2.377849 -0.419104 0.400188
N -1.488652 0.518630 0.126723
N 3.935014 -1.171607 0.037076
N 4.865474 -0.250498 -0.059307
N -11.139461 -2.874289 0.225287
C -8.919181 -0.114909 0.350690
C -8.385382 2.069916 -0.767662
C -6.533644 0.536425 -0.016000
C -9.249023 -1.236656 -0.691839
C -8.457547 3.256587 0.219699
C -5.537901 1.488413 -0.431901
C -6.072702 -0.709256 0.528674
C -4.174577 1.211874 -0.310602
C -4.704003 -0.978172 0.645974
C -3.725115 -0.029468 0.236328
C -10.290679 -2.151933 -0.201513
C -0.138100 0.087389 0.195671
C 0.895968 1.089244 0.081616
C 8.546116 -0.257106 -0.247714
C 2.603088 -0.673602 0.089794
C 0.245694 -1.286661 0.284612
C 2.246144 0.699386 0.020665
C 6.196738 -0.778443 -0.114793
C 7.224323 0.198283 -0.195049
C 1.589098 -1.666791 0.230893
C 8.923364 -1.609288 -0.227561
C 6.535243 -2.163233 -0.097239
C 7.882226 -2.567823 -0.149699
C -0.285369 3.140665 0.848967
H -9.840928 0.452881 0.566030
H -8.601493 -0.574624 1.302705
H -7.747435 2.324102 -1.633354
H -9.392824 1.870427 -1.178038
H -9.589166 -0.773726 -1.637187
H -8.334609 -1.812557 -0.924933
H -8.831433 4.160674 -0.294549
H -7.464700 3.484515 0.643996
H -9.141218 3.032590 1.058159
H -5.839842 2.453410 -0.847580
H -6.782160 -1.472611 0.859266
H -3.426725 1.940106 -0.640055
H -4.355749 -1.930742 1.058860
H -0.554775 -2.027294 0.367607
H 3.021679 1.463256 -0.077530
H 6.968617 1.262221 -0.199548
H 1.894235 -2.716343 0.284049
H 9.978398 -1.898064 -0.257084
H 5.722292 -2.892847 -0.036241
H 8.136144 -3.632622 -0.132205
H -0.256596 4.197039 0.540918
H 0.058465 3.047328 1.897079
H -1.296743 2.720046 0.737137
H 10.642293 1.836118 -2.410697


