%chk=000157972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157972

0 1
 S    2.035800       1.483400       1.458500    
 O   0.6925000      -1.197000       1.653800    
 O   -1.674600      0.3949000       1.066100    
 O    4.729300      -1.393000      -2.030000    
 O    6.146300       2.708300     -0.4879000    
 O    5.832600      -1.675900     -4.6700001E-02
 O   -7.158600      -1.308900      0.2996000    
 O   -7.217400      0.7006000       1.347600    
 N    2.739600     -0.3665000     -0.2978000    
 N  -0.4310000     -0.8161000     -0.4723000    
 N   -6.551100       2.060700     -0.9047000    
 C   0.8388000     -0.7900000      0.2747000    
 C    1.640500      0.4882000     -1.0400000E-02
 C    1.959200      -1.535700     -0.4775000    
 C    4.078500     -8.4700003E-02 -0.2529000    
 C    4.550400       1.088500      0.2301000    
 C    3.610500       2.143300      0.8067000    
 C   -1.588600     -0.2110000      1.3000000E-03
 C    4.987900      -1.137100     -0.7327000    
 C    5.995300       1.516100      0.2553000    
 C   0.3850000      -2.566900       1.852300    
 C   -2.758900     -0.4100000     -0.9474000    
 C   -4.056500      0.2405000     -0.4656000    
 C   -5.213200      2.5100000E-02  -1.454400    
 C   -6.564200      0.6014000      -1.002900    
 C   -7.008200      4.1700002E-02  0.3370000    
 H    1.335000       1.069400     -0.8884000    
 H    2.393000      -2.411600      1.0100000E-02
 H    1.784000      -1.755900      -1.535700    
 H  -0.4816000      -1.298000      -1.366900    
 H    3.391000       2.897700      4.3299999E-02
 H    4.093700       2.651300       1.648200    
 H    6.666700      0.7696000     -0.1761000    
 H    6.314400       1.696800       1.287500    
 H  -0.3266000      -2.940400       1.110300    
 H    1.299400      -3.165200       1.828900    
 H  -6.5200001E-02  -2.674300       2.843100    
 H   -2.478100      5.5999998E-03  -1.922800    
 H   -2.911400      -1.488500      -1.074900    
 H   -3.890200       1.314400     -0.3173000    
 H   -4.317100     -0.1750000      0.5151000    
 H   -5.328100      -1.053200      -1.625100    
 H   -4.941700      0.4605000      -2.424900    
 H    5.314700      -2.091800      -2.392300    
 H   -7.331000      0.3283000      -1.738100    
 H    7.080600       2.970500     -0.4260000    
 H   -6.268400       2.460100      -1.798800    
 H   -7.495500       2.401000     -0.7266000    
 H   -7.445500      -1.668500       1.166000    


%chk=000157972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157972

0 1
S 2.577150 0.114689 2.407341
O 1.044501 -2.343400 1.960164
O -1.529446 -0.278112 1.604475
O 3.352919 -0.805218 -2.699074
O 5.075999 3.459150 0.767699
O 5.103962 0.672734 -2.355493
O -6.991814 1.168415 0.545124
O -5.634904 2.917875 -0.160329
N 2.200124 -0.286288 -0.345314
N -0.414230 -1.701122 0.126984
N -5.142798 1.569451 -2.664217
C 0.914776 -1.594119 0.734425
C 1.426550 -0.128317 0.906266
C 2.047427 -1.783490 -0.347936
C 3.369274 0.448120 -0.638907
C 3.864371 1.435795 0.206308
C 3.290637 1.668845 1.587548
C -1.555274 -1.050071 0.604521
C 4.034027 0.160170 -1.928579
C 5.022442 2.339578 -0.190112
C 0.812596 -3.785029 1.816884
C -2.844191 -1.348562 -0.171107
C -3.625945 -0.058271 -0.515408
C -5.014673 -0.384891 -1.103972
C -5.820108 0.866131 -1.568844
C -6.110549 1.779240 -0.359107
H 0.680153 0.676268 0.913925
H 2.921651 -2.314287 0.076557
H 1.777055 -2.199529 -1.330937
H -0.493957 -2.235086 -0.740338
H 2.497371 2.437660 1.571695
H 4.078554 2.051327 2.254405
H 4.893054 2.707436 -1.226412
H 5.974525 1.764881 -0.176778
H -0.224573 -3.996765 1.491714
H 1.527611 -4.245275 1.103009
H 0.976397 -4.205553 2.820051
H -2.639762 -1.929197 -1.092292
H -3.475872 -1.986724 0.479521
H -3.035636 0.537126 -1.238754
H -3.717283 0.545903 0.406499
H -5.616373 -0.935666 -0.355613
H -4.903783 -1.029178 -1.996332
H 3.872919 -0.938666 -3.537475
H -6.797090 0.500323 -1.935824
H 5.875297 4.007366 0.572517
H -5.769011 2.164353 -3.216165
H -4.324924 2.104332 -2.350841
H -7.137148 1.768347 1.326925


