%chk=000132203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132203

0 1
 S    3.721800      0.9429000       1.649100    
 O   -6.604400     -0.3935000     -0.3651000    
 O   -9.361600      1.2100000E-02 -0.1149000    
 O    7.086300      -2.092600     -0.7525000    
 N   -3.118000      0.1434000      0.7034000    
 N  -0.2813000     -9.0999998E-02  0.6819000    
 N    1.723100      -1.187000      0.4762000    
 C   -2.461400     -0.9210000     -6.9799997E-02
 C   -2.268300       1.342300      0.7458000    
 C   -1.108800      -1.286200      0.5439000    
 C  -0.9113000       1.027700       1.377700    
 C   -4.426100      0.4608000      0.1322000    
 C    1.030600     -8.4399998E-02  0.3529000    
 C   -5.342500     -0.7514000      0.1830000    
 C    1.576300       1.221900     -0.1261000    
 C    2.733700       1.791400      0.4272000    
 C   0.8556000       1.914800      -1.108800    
 C    3.083300      -1.318000      0.1453000    
 C    4.101400     -0.4945000      0.6575000    
 C    3.151600       3.055600     -9.3999999E-03
 C   -7.510400      -1.488000     -0.3465000    
 C    1.286800       3.168500      -1.540400    
 C    3.445400      -2.407000     -0.6618000    
 C    2.430800       3.739600     -0.9892000    
 C    5.444300     -0.7608000      0.3537000    
 C    4.782200      -2.664200     -0.9678000    
 C   -8.840800      -1.039000     -0.9195000    
 C    5.781500      -1.842200     -0.4580000    
 H   -2.322800     -0.6141000      -1.115200    
 H   -3.036500      -1.850200     -6.6799998E-02
 H   -2.753600       2.119700       1.348500    
 H   -2.127100       1.752000     -0.2624000    
 H   -1.245500      -1.747900       1.529700    
 H  -0.6288000      -2.031900     -0.1012000    
 H  -0.3035000       1.937600       1.400600    
 H   -1.054000      0.7429000       2.428600    
 H   -4.343500      0.8229000     -0.9015000    
 H   -4.899800       1.272300      0.6999000    
 H   -5.473800      -1.088500       1.218400    
 H   -4.965100      -1.582200     -0.4183000    
 H  -3.6200002E-02   1.485800      -1.558200    
 H    4.046200       3.520000      0.3997000    
 H   -7.110100      -2.315400     -0.9425000    
 H   -7.647800      -1.819200      0.6895000    
 H   0.7287000       3.700500      -2.305300    
 H    2.678700      -3.072000      -1.053900    
 H    2.764900       4.717200      -1.324500    
 H    6.230800     -0.1174000      0.7433000    
 H    5.035600      -3.512400      -1.597700    
 H   -9.557800      -1.865000     -0.9305000    
 H   -8.712700     -0.6513000      -1.935000    
 H   -10.21110      0.2768000     -0.5072000    
 H    7.642600      -1.424600     -0.3162000    


%chk=000132203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132203

0 1
S 3.522237 0.724396 1.910580
O -6.860985 -0.752719 -0.299276
O -9.535471 0.089454 0.018408
O 7.160972 -2.407991 -0.295493
N -3.236477 0.047306 0.169542
N -0.353408 0.107657 0.168273
N 1.673906 -1.028219 -0.021905
C -2.446605 -1.002461 -0.524094
C -2.503766 1.336533 0.152859
C -1.069181 -1.184993 0.135834
C -1.132590 1.176565 0.832242
C -4.628171 0.158211 -0.327729
C 1.044200 0.129845 0.074658
C -5.528767 -0.919198 0.294006
C 1.676148 1.483713 -0.095541
C 2.818301 1.878595 0.649781
C 1.176611 2.373251 -1.087053
C 3.057933 -1.241164 -0.099477
C 4.037148 -0.585960 0.710577
C 3.419841 3.138864 0.441606
C -7.853618 -1.701588 0.233184
C 1.776103 3.631392 -1.301280
C 3.523844 -2.288412 -0.953079
C 2.892706 4.023510 -0.525479
C 5.400026 -0.950361 0.664978
C 4.877246 -2.654057 -1.016735
C -9.192339 -1.279917 -0.374214
C 5.820225 -1.985694 -0.200233
H -2.301330 -0.748098 -1.605417
H -2.991733 -1.962111 -0.474909
H -3.094682 2.088873 0.706814
H -2.350474 1.716222 -0.890685
H -1.197028 -1.573947 1.167919
H -0.447848 -1.904605 -0.419234
H -0.578072 2.126262 0.798545
H -1.293997 0.904524 1.897695
H -4.694455 0.087642 -1.440212
H -5.028881 1.147759 -0.041505
H -5.570245 -0.791045 1.396000
H -5.147269 -1.940302 0.076219
H 0.317523 2.058390 -1.690183
H 4.300019 3.415299 1.030609
H -7.589495 -2.743221 -0.053425
H -7.888218 -1.626574 1.341297
H 1.376895 4.302175 -2.069719
H 2.779364 -2.810095 -1.562260
H 3.358427 5.002676 -0.681068
H 6.119151 -0.417753 1.299341
H 5.221071 -3.454139 -1.678637
H -10.007180 -1.919559 0.004161
H -9.140523 -1.374996 -1.479314
H -8.727824 0.639662 -0.158103
H 7.738332 -1.883800 0.312932


