%chk=000062974.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062974

0 1
 O  -0.2415000     -0.5399000      0.9554000    
 O    4.725700     -0.5490000      0.3300000    
 O   0.2445000      -2.634900      0.1197000    
 N   0.2500000       3.635100       1.030800    
 C  -0.1206000      1.3200000E-02 -0.3640000    
 C  -0.4009000       1.566500     -0.2399000    
 C   -1.175200     -0.6948000      -1.273900    
 C   0.5882000       2.241100      0.7508000    
 C    1.296300     -0.2390000     -0.9065000    
 C  -0.3553000       2.291600      -1.599700    
 C   -2.622400     -0.5272000     -0.8518000    
 C    2.381400     -0.2820000     -3.0900000E-02
 C    1.496400     -0.4224000      -2.274700    
 C  -3.0900000E-02  -1.884800       1.046000    
 C  -0.9100000       3.712500       1.918400    
 C    1.392900       4.330200       1.622800    
 C   -3.205000      -1.445800      2.1500001E-02
 C   -3.370800      0.5455000      -1.336700    
 C    3.666700     -0.5080000     -0.5238000    
 C    2.781400     -0.6484000      -2.767500    
 C    3.866700     -0.6912000      -1.892100    
 C  -0.1933000      -2.304500       2.488100    
 C   -4.535900      -1.291800      0.4099000    
 C   -4.701600      0.6995000     -0.9482000    
 C   -5.284100     -0.2191000     -7.4900001E-02
 C   7.1999999E-03  -3.798400       2.674700    
 C    4.450200     -0.3538000       1.716300    
 H   -1.405900       1.673600      0.1787000    
 H  -0.9990000      -1.762900      -1.431200    
 H   -1.143200     -0.3017000      -2.295600    
 H   0.6586000       1.673900       1.687300    
 H    1.584400       2.226700      0.2940000    
 H   0.6754000       2.416900      -1.949100    
 H  -0.9057000       1.787700      -2.392700    
 H  -0.7854000       3.295100      -1.506400    
 H    2.190800     -0.1289000       1.024500    
 H   0.7015000     -0.3746000      -3.008100    
 H   -1.813600       3.315800       1.446700    
 H   -1.136900       4.758800       2.155400    
 H  -0.7476000       3.182100       2.863900    
 H    2.246200       4.329300      0.9352000    
 H    1.709400       3.874500       2.568200    
 H    1.148900       5.381600       1.811700    
 H   -2.647500      -2.298600      0.3952000    
 H   -2.955600       1.261600      -2.035900    
 H    2.939000     -0.7852000      -3.833400    
 H    4.865600     -0.8662000      -2.282200    
 H   -1.200700      -2.030300       2.818600    
 H   0.5426000      -1.761700       3.090700    
 H   -4.990900      -2.009600       1.086100    
 H   -5.286300       1.531200      -1.330100    
 H   -6.320900     -0.1004000      0.2257000    
 H  -0.7180000      -4.368500       2.084600    
 H    1.010200      -4.102700       2.357600    
 H  -0.1170000      -4.071400       3.727000    
 H    4.047100      0.6462000       1.910000    
 H    3.808100      -1.146500       2.115400    
 H    5.405500     -0.4203000       2.247400    


%chk=000062974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062974

0 1
O -0.258247 -0.442911 0.856581
O 4.829246 -0.742724 0.255311
O 0.037261 -2.699606 0.278677
N 0.225938 3.631852 1.086212
C -0.090522 0.093882 -0.554887
C -0.326427 1.633768 -0.343164
C -1.189232 -0.546333 -1.476997
C 0.649802 2.263044 0.691310
C 1.332017 -0.219652 -1.058823
C -0.261607 2.445895 -1.656477
C -2.612532 -0.547291 -0.930503
C 2.400550 -0.349443 -0.133200
C 1.610744 -0.322255 -2.442875
C -0.198466 -1.811139 1.127692
C -0.896333 3.633796 2.047159
C 1.354255 4.452432 1.570208
C -3.145574 -1.718372 -0.328846
C -3.460619 0.586016 -1.051893
C 3.715808 -0.589482 -0.589232
C 2.933462 -0.554850 -2.889720
C 3.991976 -0.690317 -1.975093
C -0.484180 -2.043958 2.606312
C -4.472126 -1.748982 0.157127
C -4.787104 0.560349 -0.566543
C -5.298232 -0.606972 0.045894
C -0.214132 -3.493205 3.047701
C 4.597710 -0.684768 1.699222
H -1.349797 1.709019 0.072104
H -0.873077 -1.580838 -1.689405
H -1.170011 0.008534 -2.431224
H 0.736199 1.596417 1.582027
H 1.653128 2.338701 0.232205
H 0.702310 2.292510 -2.175267
H -1.073507 2.194376 -2.362146
H -0.348438 3.515183 -1.396661
H 2.187046 -0.277081 0.936436
H 0.809256 -0.233851 -3.181402
H -1.757157 3.077802 1.638377
H -1.222774 4.672916 2.233129
H -0.628048 3.171240 3.031849
H 2.138049 4.505626 0.793989
H 1.822817 4.059757 2.509643
H 1.004368 5.480915 1.774337
H -2.519359 -2.615331 -0.259281
H -3.090690 1.490934 -1.548329
H 3.135265 -0.636935 -3.963379
H 5.019570 -0.878655 -2.299609
H -1.544365 -1.770358 2.777231
H 0.108848 -1.319933 3.196253
H -4.863966 -2.666668 0.610898
H -5.423617 1.445977 -0.675797
H -6.328779 -0.630362 0.417814
H -0.810312 -4.203795 2.450506
H 0.847904 -3.761588 2.910729
H -0.473583 -3.625107 4.113012
H 4.194979 0.300975 2.005626
H 3.906666 -1.485441 2.028811
H 5.586839 -0.838012 2.155369


