%chk=000146638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146638

0 1
 O    3.815400       1.993800      -1.029300    
 O    2.986100      -1.985000      -1.542900    
 O   -2.451000      4.5600001E-02  0.7297000    
 O   -1.681000      -2.468000     -0.1758000    
 N    4.031600     -0.6056000     -4.3099999E-02
 N    1.994500       1.679800      0.4339000    
 C    4.089700      0.5035000      0.9005000    
 C    5.591800      0.6943000       1.169900    
 C    6.177500     -0.6841000      0.9021000    
 C    5.357500      -1.159300     -0.2830000    
 C    3.431500       1.749300      0.3209000    
 C    2.910400      -1.124500     -0.6622000    
 C    1.547700     -0.6858000     -0.2364000    
 C    1.172000      0.5907000      0.2221000    
 C   0.5641000      -1.695900     -0.3613000    
 C  -0.1959000      0.7891000      0.5377000    
 C   -1.154700     -0.2147000      0.4079000    
 C    3.188700       3.159600      -1.545500    
 C  -0.7715000      -1.464200     -4.2199999E-02
 C   -3.105100       1.084000      1.8000000E-03
 C   -1.890800      -3.309200      0.9575000    
 C   -4.575400      0.7900000     -5.6499999E-02
 C   -5.085900      3.8600001E-02  -1.109100    
 C   -5.414000       1.271100      0.9428000    
 C   -6.452600     -0.2350000      -1.163400    
 C   -6.780700      0.9974000      0.8886000    
 C   -7.300000      0.2443000     -0.1646000    
 H    3.595800      0.1811000       1.826500    
 H    5.788000       1.045800       2.187200    
 H    6.031000       1.418800      0.4730000    
 H    7.250100     -0.6605000      0.6926000    
 H    6.006800      -1.335300       1.767600    
 H    5.728400     -0.7387000      -1.224400    
 H    5.322200      -2.249300     -0.3701000    
 H    3.762000       2.606800      0.9221000    
 H    1.534500       2.549700      0.6856000    
 H   0.8355000      -2.693000     -0.7064000    
 H  -0.5120000       1.764100      0.9105000    
 H    3.661200       3.397000      -2.503200    
 H    3.326600       4.016000     -0.8776000    
 H    2.125400       2.987700      -1.737300    
 H   -2.704000       1.169900      -1.017400    
 H   -2.929000       2.042900      0.5043000    
 H  -0.9648000      -3.826400       1.227600    
 H   -2.645100      -4.055800      0.6946000    
 H   -2.257600      -2.725300       1.807600    
 H   -4.434200     -0.3421000      -1.890700    
 H   -5.020000       1.856800       1.768700    
 H   -6.856800     -0.8221000      -1.982800    
 H   -7.440500       1.370000       1.666600    
 H   -8.364100      3.0900000E-02 -0.2065000    


%chk=000146638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146638

0 1
O 3.929944 1.929538 -0.997868
O 3.385907 -2.248472 -1.294164
O -2.526032 -0.443504 0.166739
O -1.428638 -2.897176 -0.651136
N 4.175305 -0.583827 0.082790
N 1.899862 1.591956 0.362987
C 4.083672 0.577705 0.990134
C 5.566750 0.927478 1.301714
C 6.345250 -0.378677 1.004877
C 5.579686 -0.974857 -0.194791
C 3.332982 1.768144 0.344638
C 3.133959 -1.250574 -0.533658
C 1.701938 -0.860995 -0.251544
C 1.164013 0.410143 0.128405
C 0.779470 -1.926520 -0.470413
C -0.250986 0.546269 0.275428
C -1.131507 -0.526786 0.054437
C 3.387359 3.067940 -1.740514
C -0.603470 -1.801210 -0.321670
C -3.125823 0.888009 0.357090
C -2.250699 -3.437707 0.451646
C -4.631803 0.752284 0.246973
C -5.213585 -0.179602 -0.648087
C -5.471514 1.598498 1.011696
C -6.617975 -0.257503 -0.776891
C -6.876430 1.527240 0.874687
C -7.453602 0.598023 -0.020942
H 3.532131 0.304657 1.912610
H 5.693393 1.283775 2.338376
H 5.896760 1.723099 0.610186
H 7.408084 -0.193625 0.774552
H 6.293414 -1.068558 1.867317
H 5.912076 -0.535723 -1.155740
H 5.646260 -2.071013 -0.280729
H 3.542502 2.693145 0.929840
H 1.340068 2.426379 0.535391
H 1.189269 -2.882323 -0.809758
H -0.647557 1.524981 0.568879
H 3.963054 3.114702 -2.677597
H 3.514876 4.021178 -1.181104
H 2.314846 2.923501 -1.977427
H -2.730868 1.566451 -0.429872
H -2.839722 1.297782 1.347599
H -1.603661 -3.793637 1.277466
H -2.796446 -4.288042 0.014324
H -2.961400 -2.680292 0.825940
H -4.561484 -0.845913 -1.221897
H -5.030159 2.312726 1.718580
H -7.060278 -0.984187 -1.467547
H -7.517140 2.186739 1.470664
H -8.542753 0.537181 -0.124419


