%chk=000152572.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152572

0 1
 S   -6.253200     -0.1458000       1.111000    
 O    6.283300     -0.8794000      0.3829000    
 O   -7.404400     -0.7808000       1.725400    
 O   -5.395900      0.7314000       1.883500    
 N  -0.2032000      1.9900000E-02  -1.565000    
 N    3.396900      0.8430000      0.4171000    
 N   -5.329800      -1.355700      0.3050000    
 N    5.258100      -1.247800       2.400900    
 C    1.017300      0.2990000     -0.8924000    
 C    1.910800     -0.7412000     -0.6175000    
 C    1.314800       1.611400     -0.5118000    
 C    3.105500     -0.4194000      4.8300002E-02
 C    2.532900       1.841100      0.1499000    
 C    3.999100      -1.450800      0.3249000    
 C    1.637500      -2.069300     -0.9884000    
 C   -1.479500     -0.3231000      -1.099500    
 C   0.4354000       2.676200     -0.7751000    
 C    2.834800       3.145700      0.5314000    
 C    3.730700      -2.771700     -4.2199999E-02
 C    2.547400      -3.082100     -0.7003000    
 C   0.7609000       3.971200     -0.3834000    
 C   -2.524700     -0.5468000      -2.002800    
 C   -1.721700     -0.4451000      0.2735000    
 C   -4.029200      -1.007200     -0.1694000    
 C    1.963200       4.206200      0.2712000    
 C   -3.795400     -0.8877000      -1.539400    
 C   -2.992400     -0.7860000      0.7370000    
 C    5.256600      -1.178500       1.012900    
 C   -6.856100      0.7732000     -0.2877000    
 H  -0.1178000      8.3800003E-02  -2.575200    
 H   0.7241000      -2.346100      -1.508400    
 H  -0.5108000       2.528500      -1.289300    
 H    3.771000       3.355400       1.045800    
 H    4.440100      -3.564800      0.1808000    
 H    2.334600      -4.106800     -0.9889000    
 H   -2.357800     -0.4567000      -3.073400    
 H  -0.9324000     -0.2812000       1.002600    
 H   8.0600001E-02   4.791900     -0.5889000    
 H    2.227100       5.213100      0.5810000    
 H   -4.596100      -1.056400      -2.254700    
 H   -3.155500     -0.8880000       1.806700    
 H   -5.863000      -1.953300     -0.3410000    
 H   -6.014600       1.234800     -0.8069000    
 H   -7.527000       1.550200      8.5800000E-02
 H   -7.405000      9.8600000E-02 -0.9473000    
 H    4.424400      -1.483200       2.930000    
 H    6.102300      -1.061600       2.931800    


%chk=000152572-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152572

0 1
S -6.342841 -1.325972 1.068279
O 5.306407 -2.662213 2.040755
O -7.758596 -2.113602 0.952357
O -5.473809 -1.295424 2.438104
N -0.340158 0.585840 -1.549834
N 3.408270 0.858491 0.502068
N -5.167192 -2.149211 -0.315446
N 5.385922 -0.340921 1.851452
C 0.881647 0.642843 -0.840424
C 1.569666 -0.537814 -0.402640
C 1.481404 1.928317 -0.630859
C 2.835612 -0.375449 0.316333
C 2.778049 1.975614 0.025544
C 3.519799 -1.561965 0.809535
C 1.099317 -1.862245 -0.699018
C -1.531135 -0.102269 -1.218150
C 0.858200 3.167441 -1.011912
C 3.421801 3.248134 0.209399
C 2.983694 -2.821478 0.530660
C 1.793533 -2.978225 -0.242018
C 1.506093 4.385208 -0.813364
C -2.559854 -0.185724 -2.199858
C -1.756984 -0.671739 0.069120
C -3.992668 -1.423669 -0.630832
C 2.807814 4.424645 -0.209792
C -3.783513 -0.806650 -1.900176
C -2.959390 -1.336563 0.350310
C 4.812236 -1.565613 1.618799
C -6.640328 0.520174 0.576839
H -0.429196 1.255176 -2.317876
H 0.193693 -1.993116 -1.295982
H -0.154513 3.164774 -1.430608
H 4.403843 3.253646 0.692189
H 3.529840 -3.688309 0.918638
H 1.429627 -3.983587 -0.476852
H -2.394296 0.238855 -3.197676
H -0.987954 -0.599182 0.843163
H 1.015823 5.320832 -1.102364
H 3.307197 5.388493 -0.064603
H -4.570676 -0.849389 -2.663549
H -3.126506 -1.795709 1.329000
H -5.815889 -2.292194 -1.112738
H -5.649099 0.971298 0.433014
H -7.176584 0.955322 1.431597
H -7.249419 0.507306 -0.337229
H 4.905555 0.492429 1.455370
H 6.249460 -0.308505 2.391774


