%chk=000166277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166277

0 1
 S    9.555600     -0.8280000     -0.1241000    
 S   -9.266200      -2.077800     -0.1027000    
 O    4.043400       1.140700     -3.4899998E-02
 O    9.959100      -1.038600       1.445500    
 O    9.511500      -2.148400     -0.7335000    
 O    10.40460      0.2166000     -0.6737000    
 O   -2.729200     -0.3008000     -6.6100001E-02
 O   -9.152900      -3.018300       1.229800    
 O   -10.43070      -1.223400      7.8599997E-02
 O   -9.151000      -2.935700      -1.271900    
 N    4.317200      -1.142600     -0.1162000    
 N   -4.434900       1.361000      1.0000000E-03
 N   -4.492000       2.752100      5.1300000E-02
 C    5.569700     -0.5473000     -0.1000000    
 C    5.394600      0.8432000     -5.0000001E-02
 C    4.131900      -2.571200     -0.1675000    
 C    3.386500     -0.1136000     -7.7000000E-02
 C    6.841700      -1.080300     -0.1234000    
 C    7.926100     -0.1944000     -9.5700003E-02
 C    6.440500       1.737600     -2.2000000E-02
 C    7.727200       1.199600     -4.5499999E-02
 C    4.093000      -3.143500       1.236500    
 C    2.049800     -0.1646000     -7.4699998E-02
 C   -2.306900       2.074600      1.7999999E-02
 C   -5.564000      0.5574000     -2.2900000E-02
 C   -3.260600       3.183000      6.0199998E-02
 C    1.210000       1.010400     -3.0600000E-02
 C   -3.126400      0.8476000     -2.3100000E-02
 C  -0.9702000       2.125800      1.5600000E-02
 C  -0.1303000      0.9509000     -2.8600000E-02
 C   -5.535400     -0.6822000     -0.6720000    
 C   -6.744200      0.9775000      0.6014000    
 C   -7.844100      -1.065600     -7.1900003E-02
 C   -6.671600      -1.490800     -0.6966000    
 C   -7.880400      0.1687000      0.5770000    
 C   -2.871400       4.620500      0.1098000    
 H    3.191100      -2.811800     -0.6768000    
 H    4.918100      -3.060300     -0.7543000    
 H    6.993900      -2.153400     -0.1513000    
 H    6.278100       2.807700      1.8400000E-02
 H    8.572500       1.882400     -1.5600000E-02
 H    5.031200      -2.957900       1.769900    
 H    3.281700      -2.700000       1.823500    
 H    3.932800      -4.225600       1.200600    
 H    1.552400      -1.130400     -0.1049000    
 H    1.697400       1.981800      2.0000001E-03
 H  -0.4711000       3.090700      4.8300002E-02
 H  -0.5692000     -3.6100000E-02 -6.1900001E-02
 H   -4.660800      -1.037100      -1.207900    
 H   -6.794600       1.931500       1.120500    
 H   -6.620300      -2.447000      -1.209700    
 H   -8.779900      0.5164000       1.077300    
 H   -2.275600       4.873100     -0.7715000    
 H   -2.285900       4.813600       1.012600    
 H   -3.764500       5.251200      0.1255000    
 H    9.401500      -1.682300       1.942900    
 H   -9.153600      -2.535300       2.089500    


%chk=000166277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166277

0 1
S 9.914394 -0.690967 -0.189389
S -9.812572 -1.765995 -0.207897
O 4.226678 1.141322 -0.001163
O 10.110169 -0.890126 1.646496
O 9.929718 -2.157126 -0.873735
O 10.913871 0.475328 -0.692766
O -2.848546 -0.590177 -0.123117
O -10.009847 -2.061566 1.624137
O -10.987323 -0.753721 -0.676284
O -9.638338 -3.204289 -0.931501
N 4.565288 -1.107791 -0.232546
N -4.513474 1.141850 0.068350
N -4.539386 2.566689 0.218898
C 5.833915 -0.504095 -0.159086
C 5.617707 0.893731 -0.024653
C 4.304848 -2.558415 -0.321788
C 3.575939 -0.120813 -0.118051
C 7.136204 -1.025642 -0.201334
C 8.159071 -0.058445 -0.113045
C 6.643891 1.834385 0.056984
C 7.969912 1.328433 0.013307
C 4.166913 -3.225064 1.062696
C 2.198548 -0.241469 -0.111755
C -2.333296 1.846835 0.126616
C -5.742614 0.446906 0.006334
C -3.259363 2.964501 0.250457
C 1.306892 0.869265 -0.000323
C -3.178950 0.631202 0.006020
C -0.939427 1.886250 0.120926
C -0.082729 0.751191 0.001629
C -5.769639 -0.968871 -0.154517
C -6.957103 1.184889 0.099543
C -8.182939 -0.880587 -0.110939
C -7.005150 -1.639757 -0.209273
C -8.191944 0.516542 0.044913
C -2.919072 4.419236 0.400540
H 3.389290 -2.704198 -0.921368
H 5.134697 -3.010266 -0.893376
H 7.370287 -2.088058 -0.310238
H 6.439205 2.902576 0.152436
H 8.831991 1.999648 0.060728
H 5.089414 -3.107037 1.657048
H 3.328887 -2.789425 1.633460
H 3.973999 -4.305065 0.938966
H 1.777155 -1.248679 -0.194934
H 1.753658 1.870399 0.089884
H -0.460515 2.873249 0.217620
H -0.559674 -0.232582 -0.090978
H -4.830275 -1.519566 -0.230297
H -6.908621 2.268803 0.216043
H -7.051392 -2.725006 -0.341606
H -9.136544 1.065475 0.105340
H -2.341649 4.788283 -0.467700
H -2.309759 4.597167 1.306293
H -3.843936 5.012544 0.480577
H 11.048644 -1.193162 1.822789
H -10.881911 -2.537439 1.751831


