%chk=000113252.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113252

0 1
 S    10.15160     -0.2834000      0.1018000    
 S    4.972200       1.358200      -1.027900    
 O   -6.159700      0.3138000      -2.206700    
 O   -7.256600       1.283500       2.189100    
 O    10.48860       1.070900     -0.3109000    
 O    10.77010     -0.8533000       1.290300    
 N   -6.491500       1.168400     -3.7200000E-02
 N   -3.624900       1.335000     -0.4833000    
 N    4.241300     -0.5068000      0.5969000    
 N    1.759200      3.0000000E-03  0.2924000    
 N    2.489600      0.7595000     -0.3887000    
 C   -5.775000       2.424400     -0.1367000    
 C   -4.331100       2.301400      0.3247000    
 C   -7.384400     -0.8504000     -0.5440000    
 C   -7.712100     -0.5590000      0.7719000    
 C   -6.598900      0.2641000      -1.072800    
 C   -7.140900      0.7460000       1.103500    
 C   -7.784400      -2.021400      -1.154000    
 C   -8.457200      -1.423400       1.547300    
 C   -2.293100       1.002300     -0.2955000    
 C   -8.539900      -2.913100     -0.3872000    
 C   -8.873400      -2.616900      0.9503000    
 C   -1.662700      5.0600000E-02  -1.118900    
 C  -0.3217000     -0.2838000     -0.9295000    
 C   -1.534600       1.607500      0.7243000    
 C    8.414300     -0.3759000      0.2705000    
 C   0.4127000      0.3275000      8.6900003E-02
 C    6.213700      0.4160000     -0.2905000    
 C  -0.1937000       1.273100      0.9136000    
 C    5.627500     -0.5353000      0.5499000    
 C    7.606200      0.5120000     -0.4441000    
 C    7.854200      -1.330400       1.112500    
 C    6.467100      -1.420500       1.260700    
 C   0.3059000      -1.300600      -1.825900    
 C    10.52090      -1.376500      -1.251000    
 C    3.840800      0.4335000     -0.1819000    
 H   -5.808200       2.761700      -1.179300    
 H   -6.290100       3.167100      0.4827000    
 H   -3.854100       3.285300      0.2451000    
 H   -4.315900       1.993800       1.377400    
 H   -4.100700      0.9125000      -1.272200    
 H   -7.528700      -2.249200      -2.182100    
 H   -8.713900      -1.196000       2.575300    
 H   -8.876800      -3.848500     -0.8264000    
 H   -9.462400      -3.328300       1.523300    
 H   -2.235500     -0.4260000      -1.912400    
 H   -1.965900       2.349200       1.391300    
 H   0.3696000       1.754200       1.709000    
 H    8.030200       1.257100      -1.110300    
 H    8.478400      -2.027700       1.665100    
 H    6.039800      -2.170900       1.919900    
 H   0.7851000      -2.090900      -1.238500    
 H  -0.4338000      -1.785700      -2.471900    
 H    1.052400     -0.8287000      -2.473000    
 H    11.60070      -1.361600      -1.413600    
 H    10.19750      -2.386200     -0.9910000    
 H    10.00530      -1.021600      -2.145300    


%chk=000113252-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113252

0 1
S 10.468705 -0.601976 0.961525
S 5.078225 1.296521 1.010980
O -5.984364 -0.535731 -1.613576
O -7.710534 2.276506 1.742194
O 10.565449 0.370622 2.276031
O 11.072306 -2.123726 0.945930
N -6.629035 1.118499 -0.035228
N -3.633665 1.051605 -0.887189
N 4.600055 -0.894783 -0.523596
N 1.847126 -0.210640 -0.736956
N 2.646471 0.545725 0.013066
C -5.787833 2.232746 -0.505107
C -4.298857 2.116010 -0.125867
C -7.752211 -0.916353 0.103080
C -8.260571 -0.078727 1.127797
C -6.701962 -0.161980 -0.644128
C -7.560797 1.241304 1.052076
C -8.224561 -2.224833 -0.075663
C -9.258974 -0.522031 2.007004
C -2.283415 0.779291 -0.815614
C -9.236681 -2.682268 0.808662
C -9.745160 -1.844754 1.833411
C -1.746205 -0.312360 -1.573641
C -0.383927 -0.633002 -1.546366
C -1.395369 1.561844 -0.000712
C 8.645408 -0.696801 0.459814
C 0.499098 0.164967 -0.725484
C 6.439114 0.199712 0.579950
C -0.037541 1.254529 0.035280
C 5.965002 -0.896828 -0.234293
C 7.794918 0.309962 0.941708
C 8.230421 -1.800952 -0.316661
C 6.872995 -1.898091 -0.669989
C 0.159538 -1.789319 -2.359178
C 11.317047 0.335988 -0.478696
C 3.976707 0.144225 0.019038
H -5.891211 2.312174 -1.603251
H -6.202314 3.145396 -0.043039
H -3.822930 3.094276 -0.344209
H -4.207356 1.945800 0.967098
H -4.241010 0.427844 -1.438011
H -7.823920 -2.863805 -0.868499
H -9.644608 0.132021 2.795028
H -9.631356 -3.697818 0.700158
H -10.524832 -2.226512 2.500731
H -2.427381 -0.910038 -2.191523
H -1.782001 2.393883 0.595265
H 0.656937 1.835905 0.649921
H 8.185112 1.103204 1.587497
H 8.954297 -2.572229 -0.599123
H 6.494549 -2.732156 -1.267059
H 0.697626 -2.505819 -1.715236
H -0.651430 -2.317084 -2.889422
H 0.899299 -1.436488 -3.099358
H 12.375515 0.395093 -0.189006
H 11.167074 -0.265483 -1.385567
H 10.846120 1.326533 -0.539000


