%chk=000162662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162662

0 1
 O   -1.744100       1.355000     -0.1045000    
 O   -1.968500      -1.772800      0.3893000    
 O   -1.555200       2.324000       1.975100    
 O   -1.269700      -3.141100       2.103500    
 O    5.335800       1.931200      0.8428000    
 O    4.925300       2.119300      -1.305500    
 O    5.154500      -1.868000     -0.3530000    
 O    4.271500      -1.631600      -2.348900    
 N   -4.928900      0.6902000      -1.486800    
 N    4.533100       2.013900     -0.1182000    
 N    4.157400      -1.818500      -1.113300    
 C   -3.721500      0.1321000     -0.8033000    
 C   -3.150800       1.273900      4.0199999E-02
 C   -3.825400       2.512500     -0.5237000    
 C   -5.206500       1.994300     -0.8658000    
 C   -4.204100      -1.055900     -2.7600000E-02
 C   -6.020900     -0.2816000      -1.262600    
 C   -5.494200      -1.283100     -0.2902000    
 C   -3.310000      -1.855200      0.8484000    
 C   -1.060700       1.903500      0.9407000    
 C   0.3980000       1.931900      0.6651000    
 C   -1.044300      -2.466000       1.111200    
 C    1.309200       1.842300       1.717400    
 C   0.8571000       2.048800     -0.6469000    
 C   0.3123000      -2.297600      0.5316000    
 C    2.679300       1.869700       1.457900    
 C    2.227300       2.076300     -0.9065000    
 C    3.138300       1.986800      0.1460000    
 C    1.435300      -2.348000       1.357200    
 C   0.4633000      -2.088400     -0.8392000    
 C    2.709400      -2.188900      0.8123000    
 C    1.737300      -1.929300      -1.384300    
 C    2.860400      -1.979600     -0.5585000    
 H   -3.008100     -0.1947000      -1.570500    
 H   -3.439200       1.142000       1.092700    
 H   -3.853300       3.330900      0.2025000    
 H   -3.299800       2.878800      -1.414700    
 H   -5.797100       1.901500      5.5000000E-02
 H   -5.735000       2.659400      -1.554900    
 H   -6.258200     -0.7806000      -2.208600    
 H   -6.939800      0.1849000     -0.8910000    
 H   -6.078000      -2.094600      0.1191000    
 H   -3.358600      -1.449700       1.866000    
 H   -3.629100      -2.904000      0.8657000    
 H   0.9668000       1.746400       2.744500    
 H   0.1693000       2.130600      -1.484400    
 H    3.359900       1.795400       2.302200    
 H    2.549000       2.169100      -1.940700    
 H    1.333600      -2.506000       2.427700    
 H  -0.3936000      -2.054200      -1.506800    
 H    3.561300      -2.231700       1.486100    
 H    1.817200      -1.768900      -2.456400    


%chk=000162662-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162662

0 1
O -1.798298 1.718849 0.106377
O -1.814854 -2.147275 0.388367
O -1.994004 2.782947 2.177074
O -0.382637 -0.873185 1.731445
O 5.033799 3.402990 2.194759
O 5.120380 2.357361 0.169180
O 4.978133 -3.592803 -1.966762
O 3.489883 -4.766379 -3.236473
N -4.841116 0.529643 -1.509170
N 4.475036 2.831822 1.181575
N 3.778890 -3.945944 -2.283254
C -3.590772 0.231641 -0.722016
C -3.273858 1.543288 0.048103
C -3.951390 2.640725 -0.799266
C -5.249463 1.946458 -1.268962
C -3.954605 -0.988830 0.118778
C -5.862080 -0.522187 -1.225729
C -5.215761 -1.403736 -0.170597
C -3.018331 -1.601064 1.114936
C -1.280585 2.354620 1.238121
C 0.209032 2.465157 1.182871
C -0.560653 -1.691375 0.796366
C 0.867544 3.068856 2.284662
C 0.958356 1.988308 0.076690
C 0.537259 -2.295248 -0.022405
C 2.268081 3.194851 2.292022
C 2.360180 2.108099 0.069965
C 2.992267 2.708769 1.181205
C 1.873189 -1.924342 0.282609
C 0.271181 -3.210678 -1.073872
C 2.943873 -2.460895 -0.455491
C 1.333231 -3.754485 -1.820116
C 2.652831 -3.369811 -1.496678
H -2.728721 0.010791 -1.385206
H -3.662074 1.536208 1.082394
H -4.139078 3.565177 -0.229877
H -3.304110 2.876969 -1.662707
H -6.033224 2.016954 -0.476704
H -5.656127 2.411382 -2.184899
H -6.110897 -1.108839 -2.134462
H -6.813951 -0.071840 -0.865901
H -5.720486 -2.268051 0.272565
H -2.648880 -0.874529 1.862654
H -3.473514 -2.464594 1.626733
H 0.264478 3.426641 3.124588
H 0.435667 1.527309 -0.764823
H 2.804322 3.652124 3.127164
H 2.966514 1.752428 -0.766974
H 2.049162 -1.217586 1.099556
H -0.763178 -3.485226 -1.294208
H 3.982892 -2.195404 -0.244710
H 1.163769 -4.461358 -2.636096


