%chk=000135404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135404

0 1
 O    6.365500      0.9488000      0.2599000    
 O    6.846600      -1.231000     -0.3022000    
 N    2.376100      0.4529000      0.1166000    
 C   -5.057600       1.389900     -0.3561000    
 C   -6.575500       1.177200     -0.6080000    
 C   -7.232100      0.3629000      0.4924000    
 C   -4.368500      8.3899997E-02  0.1046000    
 C   -6.587100      -1.012100      0.5788000    
 C   -5.073600      -1.005700      0.5006000    
 C   -4.875200       2.479700      0.7252000    
 C   -4.474000       1.917500      -1.689700    
 C   -2.914900      0.1082000      0.1108000    
 C   -4.485900      -2.335300      0.9136000    
 C   -2.178600     -0.9335000     -0.2631000    
 C  -0.7592000     -0.8686000     -0.2406000    
 C   0.4409000     -0.8186000     -0.2224000    
 C    1.870000     -0.7582000     -0.1995000    
 C    2.635700      -1.874000     -0.4858000    
 C    4.581600     -0.5077000     -0.1236000    
 C    4.018900      -1.738000     -0.4448000    
 C    3.724400      0.5469000      0.1465000    
 C    6.022500     -0.3341000     -7.2899997E-02
 C    7.763400       1.246400      0.3412000    
 C    7.936600       2.702300      0.7182000    
 H   -6.728100      0.6561000      -1.563500    
 H   -7.088400       2.142900     -0.7022000    
 H   -8.303700      0.2534000      0.2897000    
 H   -7.147700      0.8802000       1.455100    
 H   -6.967700      -1.643600     -0.2342000    
 H   -6.915100      -1.472100       1.519100    
 H   -5.203500       2.133600       1.711500    
 H   -3.829200       2.791700      0.8196000    
 H   -5.452400       3.378700      0.4794000    
 H   -5.028900       2.795200      -2.042000    
 H   -3.426200       2.221300      -1.587300    
 H   -4.523800       1.153300      -2.474200    
 H   -2.435900       1.016400      0.4659000    
 H   -5.141100      -2.835300       1.637300    
 H   -3.528700      -2.246500       1.433400    
 H   -4.396400      -3.003700      5.1800001E-02
 H   -2.601600      -1.837600     -0.6831000    
 H    2.187300      -2.830000     -0.7358000    
 H    4.641000      -2.601000     -0.6663000    
 H    4.076100       1.540400      0.4056000    
 H    8.227300      0.6079000       1.100900    
 H    8.232700       1.055600     -0.6302000    
 H    8.995800       2.964700      0.7894000    
 H    7.460300       3.351600     -2.3800001E-02
 H    7.454800       2.911300       1.679100    


%chk=000135404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135404

0 1
O 6.546044 1.024654 0.257877
O 6.972233 -1.181766 -0.374219
N 2.429818 0.534589 0.168412
C -5.144062 1.366719 -0.353927
C -6.664662 1.205505 -0.643817
C -7.396654 0.406868 0.446498
C -4.512783 0.009469 0.078322
C -6.806502 -1.013319 0.529774
C -5.282042 -1.062961 0.498722
C -4.932831 2.425590 0.771653
C -4.477091 1.884093 -1.662756
C -3.042165 0.006295 0.067956
C -4.708889 -2.382076 0.991332
C -2.179917 -1.039441 -0.204316
C -0.766913 -0.904147 -0.189457
C 0.473820 -0.819404 -0.186992
C 1.894424 -0.697836 -0.173577
C 2.720978 -1.818099 -0.503219
C 4.673875 -0.413832 -0.129594
C 4.115392 -1.671842 -0.479719
C 3.782520 0.649539 0.183179
C 6.152563 -0.265567 -0.105600
C 8.020714 1.265745 0.309789
C 8.213419 2.721985 0.719070
H -6.792030 0.685133 -1.615491
H -7.109713 2.213443 -0.759012
H -8.480575 0.355690 0.229988
H -7.289579 0.913241 1.424935
H -7.191432 -1.627403 -0.315150
H -7.162066 -1.523299 1.447457
H -5.442298 2.130557 1.706226
H -3.862209 2.567345 1.006878
H -5.334477 3.405469 0.450485
H -4.988540 2.804576 -2.003396
H -3.408458 2.126444 -1.525188
H -4.551827 1.130976 -2.468645
H -2.561073 0.976483 0.257602
H -5.369252 -2.820963 1.762078
H -3.699690 -2.269993 1.421967
H -4.639502 -3.129287 0.174308
H -2.575175 -2.019760 -0.496064
H 2.253833 -2.770863 -0.767757
H 4.786862 -2.501329 -0.723655
H 4.181184 1.631471 0.455881
H 8.461844 0.557708 1.034622
H 8.443137 1.043857 -0.686968
H 9.292605 2.954612 0.773503
H 7.748046 3.402971 -0.013879
H 7.765994 2.916456 1.708785


