%chk=000072739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072739

0 1
 O   -2.116300      -3.700200     -0.5883000    
 O   0.2301000       1.677600      0.7504000    
 O   -3.702700      -1.660200     -0.6435000    
 N    1.996000     -0.2413000      0.8632000    
 N    4.771600      0.8885000     -0.9839000    
 C  -0.3864000     -0.5608000      0.2741000    
 C    4.290400      0.3721000       1.391700    
 C    3.309000     -0.7583000       1.083900    
 C   0.9036000      -1.059000      0.4926000    
 C   -1.416500      -1.430600     -8.9900002E-02
 C    4.384500       1.448100      0.3054000    
 C   -2.012500       1.396800      0.1977000    
 C  -0.6468000      0.8847000      0.4309000    
 C   -3.042700      0.5270000     -0.1660000    
 C   -2.782300     -0.9186000     -0.3230000    
 C   -1.156400      -2.798500     -0.2360000    
 C    1.158400      -2.422800      0.3462000    
 C   0.1307000      -3.290700     -1.7400000E-02
 C   -2.272400       2.764800      0.3431000    
 C   -4.332800       1.025100     -0.3844000    
 C    6.107000      0.2930000     -0.9077000    
 C    4.733500       1.917100      -2.024900    
 C   -3.559500       3.257000      0.1244000    
 C   -4.587400       2.389100     -0.2387000    
 H    5.275300     -4.8900001E-02   1.622700    
 H    3.966500      0.8692000       2.316500    
 H    3.309000      -1.445900       1.938500    
 H    3.671900      -1.307700      0.2076000    
 H    5.097400       2.217900      0.6304000    
 H    3.414000       1.951000      0.2159000    
 H    1.798500      0.7241000       1.094800    
 H    2.134700      -2.868700      0.5072000    
 H   0.3390000      -4.351800     -0.1277000    
 H   -1.490100       3.464200      0.6250000    
 H   -5.152500      0.3706000     -0.6683000    
 H    6.120800     -0.6054000     -0.2834000    
 H    6.857400      0.9985000     -0.5327000    
 H    6.430300     -4.2100001E-02  -1.900700    
 H    5.434000       2.735700      -1.823400    
 H    3.725800       2.338200      -2.113400    
 H    4.977700       1.485800      -3.002100    
 H   -3.760500       4.318500      0.2372000    
 H   -5.588500       2.775000     -0.4083000    
 H   -2.970200      -3.260700     -0.7160000    


%chk=000072739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072739

0 1
O -2.181999 -3.613595 -0.855950
O 0.225786 1.735429 0.946056
O -3.768516 -1.700975 -0.793819
N 1.931305 -0.235667 0.915273
N 5.050232 0.740238 -0.925269
C -0.414669 -0.503246 0.283982
C 4.214437 0.548488 1.446963
C 3.318518 -0.667138 1.140529
C 0.912633 -1.040339 0.478673
C -1.468198 -1.377021 -0.168941
C 4.425485 1.457685 0.212407
C -2.080899 1.403448 0.323156
C -0.693903 0.906830 0.539238
C -3.120622 0.531941 -0.125082
C -2.828033 -0.888602 -0.381885
C -1.204384 -2.758782 -0.425593
C 1.138879 -2.443043 0.207295
C 0.115589 -3.274026 -0.230143
C -2.377710 2.768536 0.567214
C -4.433202 1.034515 -0.321888
C 6.483709 0.451649 -0.716285
C 4.809012 1.411839 -2.219898
C -3.682273 3.259610 0.369815
C -4.714127 2.390802 -0.076252
H 5.187639 0.179948 1.820999
H 3.772638 1.151053 2.265334
H 3.361744 -1.393510 1.979400
H 3.719057 -1.158710 0.231211
H 5.025466 2.352773 0.518624
H 3.442986 1.835511 -0.128002
H 1.634410 0.751471 1.085571
H 2.140415 -2.857040 0.351769
H 0.289117 -4.334500 -0.434816
H -1.565111 3.415851 0.910543
H -5.206010 0.340270 -0.665628
H 6.629372 -0.151601 0.196619
H 7.107252 1.377262 -0.620185
H 6.870494 -0.134217 -1.569100
H 5.284451 2.422681 -2.292567
H 3.723121 1.531471 -2.380369
H 5.209065 0.789408 -3.040597
H -3.903420 4.315364 0.560901
H -5.727413 2.777701 -0.228035
H -3.061724 -3.032361 -0.931567


