%chk=000014731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014731

0 1
 O   -5.928400      -1.783100      -1.243600    
 O   -7.611900     -0.4028000      0.4847000    
 O    6.149000      -3.027300      0.2154000    
 N   2.5599999E-02   1.154900      0.5291000    
 N    2.826600      0.9069000      2.7600000E-02
 N    4.366400      -1.485200      0.2154000    
 C   0.5123000      0.7986000     -0.8091000    
 C   0.9154000      0.5897000       1.551000    
 C    1.924400       1.340800      -1.043500    
 C    2.340300       1.126000       1.395600    
 C   -1.343600      0.6782000      0.7210000    
 C    4.209500      0.9080000     -0.1868000    
 C   -2.296800       1.332800     -0.2796000    
 C   -3.716600      0.8664000     -7.8000002E-02
 C    4.981600     -0.2696000     -9.7300000E-02
 C    4.875600       2.109400     -0.5052000    
 C    6.358900     -0.2458000     -0.3166000    
 C   -4.169400     -0.2524000     -0.7606000    
 C   -4.545800       1.564300      0.7870000    
 C    6.252900       2.133200     -0.7245000    
 C    6.994500      0.9556000     -0.6301000    
 C   -5.482600     -0.6839000     -0.5736000    
 C   -5.859100       1.132800      0.9737000    
 C   -6.327500      8.7000001E-03  0.2935000    
 C    4.962600      -2.744800      0.3469000    
 C    3.949800      -3.806800      0.6944000    
 C   -5.760800      -3.045700     -0.6017000    
 C   -8.603000      0.1409000     -0.3851000    
 H   0.5075000     -0.2907000     -0.9491000    
 H  -9.5399998E-02   1.237600      -1.604100    
 H   0.5572000      0.8575000       2.552400    
 H   0.9282000     -0.5071000       1.490600    
 H    1.903600       2.437200      -1.088500    
 H    2.285000      0.9756000      -2.013100    
 H    2.369300       2.198800       1.625500    
 H    2.986900      0.6170000       2.121000    
 H   -1.396000     -0.4159000      0.6349000    
 H   -1.676100      0.9300000       1.736700    
 H   -2.252900       2.426500     -0.1899000    
 H   -2.042400       1.106500      -1.319800    
 H    4.318200       3.040900     -0.5790000    
 H    7.005800      -1.109200     -0.2638000    
 H   -3.513100     -0.7955000      -1.435500    
 H   -4.189600       2.439400       1.323000    
 H    6.748300       3.068800     -0.9675000    
 H    3.360100      -1.435500      0.3609000    
 H    8.067100      0.9759000     -0.8009000    
 H   -6.511300       1.676600       1.651800    
 H    3.187600      -3.862300     -8.8000000E-02
 H    4.444600      -4.778400      0.7770000    
 H    3.475500      -3.566800       1.650300    
 H   -6.169600      -3.819900      -1.256600    
 H   -4.699000      -3.252900     -0.4348000    
 H   -6.302600      -3.069700      0.3491000    
 H   -8.657400       1.228300     -0.2720000    
 H   -8.386400     -0.1187000      -1.426200    
 H   -9.570900     -0.2881000     -0.1120000    


%chk=000014731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014731

0 1
O -6.266948 -1.548119 -1.360486
O -7.762190 -0.249168 0.804509
O 6.442346 -2.748250 0.967812
N 0.104611 0.850573 0.276088
N 2.961564 0.662478 -0.161035
N 4.636447 -1.395364 0.322523
C 0.673124 0.728586 -1.088835
C 0.988932 0.191283 1.267530
C 2.082507 1.343415 -1.144005
C 2.401841 0.793836 1.219893
C -1.297441 0.379750 0.380684
C 4.382723 0.929247 -0.257288
C -2.304397 1.295378 -0.365835
C -3.743762 0.892709 -0.081050
C 5.268683 -0.156518 0.047776
C 4.922789 2.175283 -0.643686
C 6.671674 0.039175 0.018773
C -4.374493 -0.129737 -0.832518
C -4.469708 1.495239 0.978865
C 6.323419 2.363911 -0.698460
C 7.187711 1.301271 -0.351298
C -5.695077 -0.537686 -0.550097
C -5.799502 1.110598 1.255154
C -6.428961 0.108768 0.486557
C 5.205825 -2.597999 0.726143
C 4.216094 -3.755137 0.858904
C -6.668059 -2.774757 -0.632632
C -8.742936 0.021968 -0.273058
H 0.731539 -0.342825 -1.413088
H 0.025097 1.266261 -1.803015
H 0.562259 0.339132 2.276962
H 1.062279 -0.914095 1.085469
H 1.994620 2.434759 -0.933668
H 2.513229 1.214277 -2.152452
H 2.355383 1.865161 1.520494
H 3.066120 0.267257 1.927763
H -1.414996 -0.671994 0.011275
H -1.568311 0.372799 1.453742
H -2.117471 2.334885 -0.039237
H -2.115180 1.252210 -1.454837
H 4.249857 3.003789 -0.890576
H 7.327088 -0.796416 0.272280
H -3.849927 -0.632429 -1.653305
H -3.998252 2.283595 1.577533
H 6.732841 3.335271 -0.996253
H 3.624772 -1.350265 0.124961
H 8.273188 1.447610 -0.376571
H -6.377772 1.585975 2.054168
H 4.481406 -4.541413 0.130261
H 4.315199 -4.197249 1.864939
H 3.164371 -3.461021 0.696723
H -7.133134 -3.424612 -1.389522
H -5.775423 -3.271571 -0.207026
H -7.385736 -2.541141 0.174082
H -8.807849 1.110354 -0.462070
H -8.463478 -0.502779 -1.204566
H -9.706439 -0.350558 0.107003


