%chk=000174684.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174684

0 1
 S   0.4628000     -1.5000000E-02  0.8429000    
 O   -2.952300       1.901400      -1.992600    
 O    2.823200      -1.755000      0.2916000    
 O    4.046500       3.633100      0.3276000    
 O   -2.662700      -2.130400      0.5406000    
 O   -5.690300     -0.7896000      0.5322000    
 O   -6.904800      0.7952000       1.615100    
 O   0.5864000      -3.609800      0.6446000    
 O  -4.1800000E-02  -5.789800      0.6199000    
 N   -2.556900      0.4443000     -0.2273000    
 N   -3.340900       3.672800      0.2822000    
 N   -1.187000      -2.829800      -1.107300    
 C   -1.678000     -0.4660000     -0.9255000    
 C   -3.984100       2.364700      0.1465000    
 C  -0.2118000     -3.3000000E-02 -0.8503000    
 C   -5.419400       2.555800     -0.3662000    
 C   -3.124800       1.560300     -0.8241000    
 C    2.141300      0.5229000      0.5424000    
 C    2.454200       1.878900      0.5499000    
 C    4.462600     -2.2100000E-02  5.9500001E-02
 C   -1.918800      -1.882000     -0.4061000    
 C    4.780800       1.356900      6.7100003E-02
 C    3.137900     -0.4226000      0.2991000    
 C   -6.152900       1.242000     -0.6355000    
 C    3.764800       2.294700      0.3140000    
 C    1.407300       2.919900      0.8080000    
 C    5.478400     -0.9599000     -0.1871000    
 C    6.105400       1.757400     -0.1722000    
 C    6.789100     -0.5441000     -0.4231000    
 C    7.102100      0.8119000     -0.4155000    
 C   -6.307200      0.4149000      0.6164000    
 C   -1.226900      -4.237600     -0.7875000    
 C  -0.1819000      -4.640100      0.2208000    
 H   -1.976800     -0.4644000      -1.982200    
 H   -4.007100       1.889100       1.133000    
 H   0.4182000     -0.6908000      -1.457600    
 H  -0.1117000      0.9760000      -1.265400    
 H   -5.409600       3.132100      -1.300900    
 H   -5.989400       3.147200      0.3623000    
 H   -2.738800      0.2601000      0.7550000    
 H   -5.636600      0.6556000      -1.403800    
 H   -7.158500       1.441100      -1.023200    
 H   -3.882800       4.256300      0.9185000    
 H   -2.424100       3.559300      0.7138000    
 H   0.6697000       2.931800     -1.1000000E-03
 H   0.9011000       2.732200       1.761300    
 H    1.808100       3.935600      0.8800000    
 H    5.295100      -2.030800     -0.1879000    
 H    6.403900       2.801600     -0.1949000    
 H  -0.6087000      -2.542300      -1.890700    
 H    7.566500      -1.279500     -0.6096000    
 H    8.122300       1.134400     -0.6022000    
 H   -1.044700      -4.785500      -1.716200    
 H   -2.213300      -4.490200     -0.3875000    
 H    3.345100      -2.211000     -0.3881000    
 H    4.946100       3.780000      0.6602000    
 H   -5.787000      -1.309500       1.358400    
 H    1.258600      -3.896500       1.298900    


%chk=000174684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174684

0 1
S 0.368186 -0.418923 0.957548
O -2.805544 1.459466 -1.438228
O 3.074069 -1.883302 0.767658
O 3.391179 3.616168 -0.485616
O -2.327743 -2.816608 0.907326
O -7.921228 1.608474 -1.272409
O -7.200094 1.627287 0.930837
O 1.779941 -3.628279 -0.749862
O 1.338233 -4.076824 1.490307
N -2.750243 -0.333870 0.027342
N -2.984892 2.111298 1.789688
N -0.985023 -3.429893 -0.904060
C -1.806288 -1.103370 -0.779277
C -3.961106 1.672339 0.760298
C -0.396158 -0.453304 -0.800341
C -4.671635 2.913174 0.182846
C -3.145347 0.940202 -0.328387
C 1.991014 0.335657 0.500081
C 2.091089 1.739245 0.198586
C 4.408793 0.014465 0.094483
C -1.752635 -2.533126 -0.185997
C 4.520659 1.409017 -0.269658
C 3.125122 -0.494038 0.473238
C -5.763090 2.591121 -0.853902
C 3.348881 2.241238 -0.180582
C 0.909294 2.681838 0.271979
C 5.571742 -0.821499 0.056951
C 5.799977 1.901789 -0.692135
C 6.804959 -0.306803 -0.346413
C 6.918148 1.065516 -0.731126
C -6.983468 1.907588 -0.270607
C -0.363028 -4.594539 -0.246176
C 0.999209 -4.125095 0.284011
H -2.153512 -1.129551 -1.833351
H -4.733206 0.973509 1.161942
H 0.301928 -1.007541 -1.449606
H -0.485677 0.586535 -1.147655
H -3.902042 3.545442 -0.292153
H -5.114521 3.481827 1.023112
H -3.086664 -0.805738 0.877020
H -5.355470 1.966672 -1.670364
H -6.113267 3.519301 -1.345488
H -3.396950 2.704192 2.516787
H -2.391096 1.368775 2.172659
H 0.524200 2.923455 -0.737429
H 0.079311 2.256894 0.858606
H 1.216131 3.642073 0.719742
H 5.468075 -1.867348 0.357623
H 5.924251 2.945754 -1.010114
H -0.511821 -3.098658 -1.748728
H 7.689255 -0.952043 -0.370695
H 7.885378 1.460328 -1.059442
H -0.245359 -5.423367 -0.963073
H -0.992977 -4.908187 0.598180
H 2.368829 -2.108517 1.438737
H 4.320878 3.931607 -0.601201
H -8.712220 1.169092 -0.856101
H 2.539472 -3.058718 -0.367210


