%chk=000176162.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176162

1 1
 O   0.3585000     -0.1705000      0.9291000    
 O  -0.6543000      -1.990000     -4.6500001E-02
 O   -2.025200     -5.9000000E-02   2.128400    
 N    4.041100     -0.3852000      0.3530000    
 C    5.136600      0.6455000      2.1100000E-02
 C    4.069400      -1.322400     -0.8864000    
 C    6.225700     -0.1648000     -0.6776000    
 C    5.556700      -1.416800      -1.232700    
 C    2.689500      0.2819000      0.5772000    
 C    4.356800      -1.215900       1.606400    
 C    5.633700       1.429200       1.226500    
 C    3.261300     -0.7797000      -2.066400    
 C    1.628000     -0.7858000      0.7554000    
 C  -0.7255000     -0.8854000      0.4791000    
 C   -2.020900     -9.6600004E-02  0.6867000    
 C   -3.273400     -0.8101000      0.1720000    
 C   -1.939200       1.328500      0.1352000    
 C   -3.427600     -0.9728000      -1.185400    
 C   -2.526100       2.346500      0.8509000    
 C   -4.197000      -1.261000       1.086500    
 C   -1.282300       1.537300      -1.055500    
 C   -4.569200      -1.622600      -1.654600    
 C   -2.452100       3.645600      0.3480000    
 C   -5.338600      -1.910800      0.6174000    
 C   -1.208100       2.836300      -1.558400    
 C   -5.524700      -2.091600     -0.7531000    
 C   -1.793000       3.890300     -0.8566000    
 H    4.693400       1.346000     -0.6978000    
 H    3.674900      -2.303100     -0.5965000    
 H    7.029500     -0.4477000      1.2200000E-02
 H    6.688400      0.4239000      -1.477500    
 H    5.735400      -1.527400      -2.307600    
 H    5.992900      -2.301400     -0.7522000    
 H    2.759000      0.9163000       1.468300    
 H    2.467200      0.9423000     -0.2679000    
 H    4.166500     -0.6059000       2.494200    
 H    3.744900      -2.121400       1.615600    
 H    5.409700      -1.510100       1.577900    
 H    6.363700       2.180900      0.9065000    
 H    4.817000       1.957900       1.726700    
 H    6.131600      0.7914000       1.963400    
 H    3.601500      0.2138000      -2.375900    
 H    2.186600     -0.7234000      -1.886200    
 H    3.388700      -1.441800      -2.931100    
 H    1.794400      -1.348300       1.678900    
 H    1.605800      -1.508500     -6.0800001E-02
 H   -2.838100      0.3590000       2.453700    
 H   -2.691600     -0.6413000      -1.908000    
 H   -3.063600       2.196100       1.779700    
 H   -4.094300      -1.163200       2.160600    
 H  -0.8154000      0.7359000      -1.618700    
 H   -4.711600      -1.768900      -2.721400    
 H   -2.911300       4.466100      0.8918000    
 H   -6.081100      -2.280200       1.318900    
 H  -0.6940000       3.027300      -2.495900    
 H   -6.412500      -2.599600      -1.118200    
 H   -1.736000       4.901500      -1.248600    


%chk=000176162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176162

1 1
O 0.339827 -0.249760 0.673059
O -0.832378 -1.904738 -0.449575
O -1.843091 0.765747 1.704168
N 4.079089 -0.517220 0.485657
C 5.144985 0.495161 1.053452
C 4.348911 -0.454339 -1.069133
C 6.397457 0.234493 0.181551
C 5.899873 -0.425239 -1.143922
C 2.668102 -0.095601 0.899163
C 4.358562 -1.933438 0.977955
C 5.371683 0.402111 2.564693
C 3.697422 0.758543 -1.753396
C 1.561525 -1.015781 0.364215
C -0.847910 -0.824709 0.172341
C -2.057669 0.114850 0.389711
C -3.386747 -0.652144 0.419860
C -1.943126 1.148590 -0.759822
C -4.563156 -0.075244 -0.122128
C -1.616430 2.494258 -0.476048
C -3.483331 -1.881836 1.123035
C -2.128790 0.738283 -2.105377
C -5.810713 -0.720884 0.027787
C -1.501475 3.431835 -1.528437
C -4.728335 -2.527348 1.268501
C -2.005769 1.675115 -3.154361
C -5.897421 -1.948989 0.720478
C -1.695192 3.026263 -2.869149
H 4.710903 1.482200 0.810613
H 3.930061 -1.385031 -1.489005
H 7.112366 -0.418758 0.710993
H 6.918349 1.187480 -0.005833
H 6.217130 0.146800 -2.030023
H 6.313011 -1.441517 -1.256085
H 2.639763 -0.074957 2.000951
H 2.497128 0.928365 0.533722
H 4.110447 -2.004488 2.046956
H 3.739616 -2.642131 0.408496
H 5.419456 -2.175438 0.827223
H 6.085857 1.195455 2.847884
H 4.455242 0.576162 3.154395
H 5.822708 -0.557784 2.867852
H 4.082891 1.721915 -1.376308
H 2.596872 0.764249 -1.693530
H 3.956043 0.707085 -2.825592
H 1.520903 -1.996125 0.871048
H 1.625519 -1.190912 -0.726438
H -2.734878 0.877292 2.123518
H -4.506979 0.874016 -0.664532
H -1.462754 2.790121 0.565778
H -2.586256 -2.341590 1.551299
H -2.379396 -0.305239 -2.330330
H -6.711457 -0.265582 -0.397068
H -1.268207 4.477987 -1.300971
H -4.788847 -3.479776 1.805604
H -2.163161 1.354967 -4.190086
H -6.864148 -2.451479 0.831875
H -1.612384 3.755035 -3.682885


