%chk=000068563.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068563

0 1
 O    2.700800      0.8334000      2.1299999E-02
 O    4.686200      -1.112900     -1.4400000E-02
 O  -0.9249000      -2.294800       1.975100    
 O   -3.539000       1.360400      0.9975000    
 N    1.199600      -2.354200     -0.1229000    
 N   -1.663300      -2.009700     -0.2195000    
 N   -2.229800     -0.4765000       1.473700    
 C    2.550700      -2.051800     -0.5749000    
 C    3.395600      -1.408600      0.5273000    
 C   0.4007000      -2.912700      -1.206200    
 C   -1.010200      -3.212800     -0.7223000    
 C    2.791800     -0.1182000       1.077100    
 C   -2.383700      -1.247200      -1.115900    
 C   -1.554000      -1.652900       1.131200    
 C   -3.029300     -0.1221000     -0.7847000    
 C    1.672700       1.735000      9.2699997E-02
 C   -2.969600      0.3366000      0.6286000    
 C    1.108800       2.257300      -1.067300    
 C   -3.809000      0.7014000      -1.758800    
 C    1.199800       2.121400       1.343200    
 C   6.1900001E-02   3.174600     -0.9758000    
 C    1.607400       1.850600      -2.414600    
 C   0.1528000       3.038500       1.434500    
 C  -0.4160000       3.565100      0.2751000    
 H    3.054800      -2.966600     -0.9131000    
 H    2.522500      -1.385400      -1.446700    
 H    3.541300      -2.119800       1.348300    
 H   0.3553000      -2.203500      -2.041800    
 H   0.8534000      -3.839900      -1.577000    
 H  -0.9772000      -3.958800      8.1799999E-02
 H   -1.608300      -3.649600      -1.531400    
 H    1.234700      -3.008200      0.6583000    
 H    1.819300     -0.3490000       1.528800    
 H    3.458300      0.2944000       1.843800    
 H   -2.402100      -1.609900      -2.138900    
 H    4.568600     -0.4465000     -0.7131000    
 H   -2.170300     -0.1873000       2.446100    
 H   -4.856900      0.7703000      -1.449300    
 H   -3.786800      0.2728000      -2.766300    
 H   -3.396200       1.713900      -1.819100    
 H    1.633700       1.764000       2.272100    
 H  -0.3937000       3.593200      -1.869300    
 H    1.119200       2.412500      -3.218100    
 H    2.684100       2.033800      -2.495700    
 H    1.410200      0.7871000      -2.584700    
 H  -0.2156000       3.347900       2.408200    
 H   -1.231300       4.279100      0.3464000    


%chk=000068563-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068563

0 1
O 2.161246 0.779297 -0.334183
O 4.342412 -0.840633 0.204340
O -1.011378 -3.351697 2.107739
O -2.888566 0.929525 2.085881
N 1.136085 -2.791411 -0.182271
N -1.742072 -2.463687 0.046801
N -1.993907 -1.226002 2.035497
C 2.427310 -2.204893 -0.582343
C 2.988178 -1.296366 0.542285
C 0.251898 -3.278226 -1.246524
C -1.152310 -3.607929 -0.685370
C 2.065238 -0.109037 0.842550
C -2.313473 -1.396311 -0.647984
C -1.540269 -2.414388 1.443793
C -2.741735 -0.230696 -0.054007
C 1.307584 1.901085 -0.390717
C -2.573158 -0.087727 1.398981
C 1.483733 2.742434 -1.528327
C -3.353334 0.916260 -0.817860
C 0.328876 2.184062 0.590055
C 0.641224 3.871369 -1.645571
C 2.546047 2.421611 -2.560591
C -0.501311 3.318990 0.441477
C -0.348394 4.166927 -0.675932
H 3.213063 -2.953029 -0.832800
H 2.261042 -1.585601 -1.484894
H 3.106966 -1.889359 1.468761
H 0.170231 -2.481930 -2.013341
H 0.619050 -4.194125 -1.774749
H -1.088886 -4.444746 0.030601
H -1.831226 -3.899287 -1.506778
H 1.193114 -3.430084 0.620995
H 1.030042 -0.475892 0.970169
H 2.401018 0.441961 1.741997
H -2.403381 -1.544984 -1.728552
H 4.239322 -0.072177 -0.416966
H -1.881549 -1.169864 3.052874
H -4.335063 1.191212 -0.392035
H -3.485416 0.666387 -1.884802
H -2.712285 1.813767 -0.743653
H 0.199077 1.542614 1.465740
H 0.766466 4.529443 -2.514157
H 2.529389 3.155099 -3.384392
H 3.557106 2.430519 -2.111045
H 2.400964 1.411897 -2.987957
H -1.265420 3.520874 1.199581
H -0.986546 5.049147 -0.793016


