%chk=000118831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118831

0 1
 O    2.812100       1.423300      0.5168000    
 O   -2.716300       1.536200     -0.4807000    
 O    4.852900       2.315400     -6.4900003E-02
 O   -4.757200       2.369200      0.1828000    
 N   5.1199999E-02   1.967900      6.9600001E-02
 C   0.8146000       2.640700       1.094900    
 C  -0.7019000       2.779500     -0.8874000    
 C   3.2699998E-02  0.5699000     -2.7899999E-02
 C    2.271900       2.739400      0.6773000    
 C   -2.162800       2.846100     -0.4761000    
 C  -0.4363000     -0.1979000       1.038100    
 C   0.4825000     -5.3800002E-02  -1.191700    
 C  -0.4556000      -1.589200      0.9401000    
 C   0.4632000      -1.445000      -1.289500    
 C  -5.7000001E-03  -2.212700     -0.2237000    
 C  -0.9572000      -2.410500       2.079300    
 C    4.124600       1.335100      0.1399000    
 C   -4.028400       1.440500     -0.1300000    
 C    4.552000     -4.8599999E-02  1.0100000E-02
 C   -4.482600      2.7700000E-02 -0.1730000    
 C    5.547200     -0.3881000     -0.9066000    
 C   -5.492400     -0.4067000      0.6858000    
 C    3.967300      -1.036700      0.8024000    
 C   -3.900100     -0.8654000      -1.072300    
 C    5.957400      -1.715400      -1.031100    
 C   -5.919500      -1.734000      0.6455000    
 C    4.377800      -2.364000      0.6779000    
 C   -4.327300      -2.192700      -1.112700    
 C    5.372900      -2.703300     -0.2389000    
 C   -5.337000      -2.626900     -0.2538000    
 H   0.4193000       3.647400       1.275400    
 H   0.7402000       2.104500       2.048400    
 H  -0.2896000       3.794400     -0.9352000    
 H  -0.6185000       2.362000      -1.897500    
 H    2.362900       3.282900     -0.2707000    
 H    2.840100       3.269000       1.450300    
 H   -2.254200       3.276000      0.5288000    
 H   -2.712200       3.476400      -1.184800    
 H  -0.7978000      0.2826000       1.944300    
 H   0.8643000      0.5265000      -2.027600    
 H   0.8175000      -1.930700      -2.194100    
 H  -1.2900000E-02  -3.295800     -0.3118000    
 H   -1.336100      -3.379000       1.735500    
 H   -1.784900      -1.906800       2.590400    
 H  -0.1517000      -2.586200       2.799200    
 H    6.011100      0.3689000      -1.533800    
 H   -5.954200      0.2759000       1.394300    
 H    3.197700     -0.8009000       1.532800    
 H   -3.119400     -0.5521000      -1.760300    
 H    6.731700      -1.980000      -1.745400    
 H   -6.705000      -2.072500       1.314800    
 H    3.923700      -3.133200       1.295800    
 H   -3.874800      -2.887800      -1.813900    
 H    5.692400      -3.736800     -0.3357000    
 H   -5.669400      -3.660300     -0.2853000    


%chk=000118831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118831

0 1
O 2.852692 1.258543 0.631721
O -3.050995 1.477419 -0.695705
O 4.619834 2.778439 0.642307
O -4.694852 3.116122 -0.493859
N -0.108068 1.090677 -0.043864
C 0.511858 1.824518 1.067802
C -0.680407 1.917767 -1.115217
C -0.149665 -0.324227 -0.082123
C 1.914278 2.393948 0.800842
C -2.043386 2.559312 -0.811904
C 0.681323 -1.111225 0.772095
C -1.021150 -1.015185 -0.979466
C 0.641495 -2.525624 0.758658
C -1.036023 -2.423683 -1.013320
C -0.218875 -3.188924 -0.151558
C 1.518178 -3.318001 1.716727
C 4.210926 1.595502 0.532268
C -4.375402 1.900732 -0.506766
C 5.065447 0.398872 0.292028
C -5.312449 0.755720 -0.333771
C 6.474198 0.571139 0.320460
C -6.701650 1.041243 -0.268482
C 4.510946 -0.881160 0.026923
C -4.855951 -0.584027 -0.221377
C 7.323345 -0.531016 0.094242
C -7.629442 -0.006306 -0.100525
C 5.366425 -1.979204 -0.203339
C -5.789811 -1.627668 -0.049497
C 6.770935 -1.808224 -0.167324
C -7.175042 -1.342865 0.008370
H -0.128820 2.693720 1.328075
H 0.538176 1.184810 1.965505
H 0.013848 2.756892 -1.333932
H -0.747398 1.327502 -2.043944
H 1.947486 3.014644 -0.114294
H 2.250448 3.020009 1.648873
H -2.036100 3.136105 0.132080
H -2.341844 3.246429 -1.626203
H 1.400263 -0.620715 1.435162
H -1.710424 -0.460468 -1.620686
H -1.708681 -2.928260 -1.717558
H -0.246892 -4.283943 -0.183806
H 1.707201 -4.338648 1.339820
H 1.034042 -3.417120 2.707865
H 2.494165 -2.825502 1.880498
H 6.877448 1.569783 0.518845
H -7.027813 2.083457 -0.350088
H 3.424365 -1.001663 -0.011584
H -3.783195 -0.794802 -0.256125
H 8.410232 -0.397931 0.119085
H -8.701154 0.214668 -0.053027
H 4.938644 -2.965153 -0.414989
H -5.437786 -2.660757 0.043110
H 7.431621 -2.664083 -0.345964
H -7.896346 -2.157186 0.141033


