%chk=000132150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132150

0 1
 S    4.511300      -2.685000     -0.3492000    
 O    4.347400       2.374200     -5.1300000E-02
 O   -10.02190     -5.0000001E-02  9.5100001E-02
 N    6.224200     -0.5592000     -8.0899999E-02
 N   -1.563500      6.0000001E-03 -3.2600001E-02
 N    4.045900      4.0899999E-02 -0.1101000    
 N   -4.441200     -1.1900000E-02  8.8999998E-03
 C    6.262200      0.8987000     -7.8000002E-02
 C    4.771400       1.223800     -9.0300001E-02
 C   -2.324500       1.254700      7.7000000E-03
 C   -2.309600      -1.252000     -5.1300000E-02
 C   -3.684400       1.045200      0.6793000    
 C   -3.691100      -1.059800     -0.6831000    
 C    4.905300      -1.064700     -0.1480000    
 C    6.889700       1.466300       1.195100    
 C    6.910100       1.471200      -1.338200    
 C    7.464800      -1.332800     -0.1267000    
 C  -0.1713000      1.4600000E-02 -5.1700000E-02
 C    2.617700      3.1399999E-02 -9.1499999E-02
 C   -5.833400     -2.1299999E-02  2.9999999E-02
 C   0.5115000       1.079100     -0.6401000    
 C   0.5407000      -1.041600      0.5168000    
 C    1.906300       1.087500     -0.6600000    
 C    1.935400      -1.033200      0.4970000    
 C    7.924200      -1.716700       1.269700    
 C   -6.556100      0.5235000       1.117000    
 C   -6.582100     -0.5761000      -1.034100    
 C   -7.950900      0.5138000       1.138700    
 C   -7.976900     -0.5857000      -1.012300    
 C   -8.661200     -4.0700000E-02  7.4100003E-02
 H   -2.467000       1.625300      -1.015100    
 H   -1.787200       2.024600      0.5752000    
 H   -2.418000      -1.624400      0.9750000    
 H   -1.779100      -2.015300     -0.6342000    
 H   -3.543400      0.7761000       1.733400    
 H   -4.226800       1.998100      0.6439000    
 H   -3.584200     -0.7893000      -1.741000    
 H   -4.220200      -2.019400     -0.6320000    
 H    6.739600       2.550100       1.259700    
 H    6.445100       1.022300       2.093300    
 H    7.969100       1.287000       1.223800    
 H    6.765300       2.556100      -1.397500    
 H    7.988200       1.285000      -1.366800    
 H    6.472100       1.034700      -2.243500    
 H    7.307700      -2.241500     -0.7150000    
 H    8.245900     -0.7604000     -0.6335000    
 H  -1.3700000E-02   1.903100      -1.115300    
 H   3.8699999E-02  -1.865400       1.017000    
 H    2.388600       1.908100      -1.180400    
 H    2.427100      -1.820200       1.054600    
 H    8.184900     -0.8467000       1.875900    
 H    7.147300      -2.272100       1.805000    
 H    8.812600      -2.353600       1.208600    
 H   -6.035000      0.9521000       1.970100    
 H   -6.081900     -0.9979000      -1.903000    
 H   -8.472400      0.9388000       1.992100    
 H   -8.525100      -1.016400      -1.845800    
 H   -10.32720      0.3667000      0.9193000    


%chk=000132150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132150

0 1
S 4.423651 -2.405716 -0.958580
O 4.463939 2.453808 0.747702
O -10.137494 -0.320816 -0.421374
N 6.254163 -0.444664 -0.327581
N -1.578872 0.105652 0.284972
N 4.116440 0.204836 0.021815
N -4.489719 -0.020495 0.127763
C 6.368571 0.973244 0.113891
C 4.885800 1.341398 0.347975
C -2.377569 1.260223 -0.163468
C -2.323245 -1.096455 0.701450
C -3.792431 1.233429 0.448815
C -3.657917 -1.219833 -0.061553
C 4.950327 -0.880344 -0.411520
C 7.160579 1.127266 1.434844
C 6.951471 1.885860 -0.996248
C 7.406092 -1.285591 -0.698389
C -0.179764 0.129934 0.232031
C 2.677145 0.167929 0.092497
C -5.890637 -0.074517 0.004654
C 0.514715 1.175826 -0.454456
C 0.607850 -0.884050 0.863998
C 1.918320 1.188933 -0.521999
C 2.010692 -0.862403 0.793870
C 7.843646 -2.252255 0.423126
C -6.720726 0.986302 0.476626
C -6.536130 -1.198710 -0.600057
C -8.124138 0.929192 0.340623
C -7.936485 -1.258623 -0.722882
C -8.738683 -0.194163 -0.257155
H -2.457449 1.292907 -1.272821
H -1.884366 2.196288 0.161784
H -2.521569 -1.096146 1.795341
H -1.722650 -1.995257 0.471787
H -3.721851 1.401472 1.547104
H -4.355228 2.084873 0.021772
H -3.447920 -1.412989 -1.137532
H -4.192654 -2.105209 0.333782
H 7.072168 2.169479 1.786693
H 6.763390 0.458943 2.217823
H 8.229013 0.896126 1.276811
H 6.829306 2.939749 -0.692736
H 8.027686 1.687893 -1.146226
H 6.424841 1.731711 -1.953883
H 7.114501 -1.870834 -1.590183
H 8.236052 -0.614279 -0.983222
H -0.039567 1.967341 -0.966255
H 0.128162 -1.679614 1.441116
H 2.426120 1.997588 -1.056041
H 2.591150 -1.649909 1.282252
H 8.161353 -1.707993 1.329262
H 7.010441 -2.926119 0.684991
H 8.690620 -2.871186 0.074477
H -6.281523 1.852793 0.979961
H -5.943231 -2.024460 -1.004510
H -8.733980 1.761275 0.717649
H -8.420673 -2.120690 -1.191839
H -10.600735 0.476748 -0.064943


