%chk=000037636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037636

0 1
 O  -0.6533000       1.265200     -6.8599999E-02
 O   -5.751400       1.648100      5.9700001E-02
 N  -0.1006000     -0.9680000     -0.5886000    
 N   -3.496100     -8.0399998E-02  0.2273000    
 C    1.454500      0.2601000      0.7396000    
 C    1.923200      -1.154500      0.4552000    
 C   9.1300003E-02  0.2960000     -1.1300000E-02
 C   0.9752000      -1.824300     -0.3208000    
 C   -1.247600      -1.359600      -1.373600    
 C   -2.294100      -2.106700     -0.5489000    
 C    2.375000       1.287000      0.1606000    
 C    1.234000      0.5067000       2.229300    
 C   -2.840200      -1.317900      0.6446000    
 C    3.087400      -1.791300      0.8559000    
 C    1.157100      -3.137000     -0.7210000    
 C   -4.616300     -0.3641000     -0.6805000    
 C   -3.972400      0.6766000       1.393400    
 C    2.162900       1.757600      -1.133100    
 C    3.440800       1.768300      0.9171000    
 C   -5.291900      0.9407000      -1.092600    
 C   -4.664200       1.956600      0.9328000    
 C    3.286700      -3.116000      0.4602000    
 C    2.329200      -3.783000     -0.3220000    
 C    3.021500       2.715000      -1.673300    
 C    4.299400       2.725700      0.3770000    
 C    4.089700       3.199000     -0.9183000    
 H  -0.9174000      -1.973700      -2.218900    
 H   -1.691000     -0.4553000      -1.805800    
 H   -1.834100      -3.018500     -0.1451000    
 H   -3.094100      -2.469200      -1.202500    
 H    2.103400      0.2561000       2.847000    
 H   0.9505000       1.546400       2.434300    
 H   0.4109000     -0.1168000       2.603100    
 H   -2.020900      -1.093900       1.338100    
 H   -3.540400      -1.960600       1.195100    
 H    3.830100      -1.285600       1.463000    
 H   0.4275000      -3.666600      -1.322600    
 H   -5.349900      -1.018700     -0.1926000    
 H   -4.287500     -0.8429000      -1.606700    
 H   -3.131000      0.9420000       2.043800    
 H   -4.677500      7.1599998E-02   1.978000    
 H    1.368000       1.391700      -1.775200    
 H    3.654500       1.412600       1.919400    
 H   -4.615300       1.582300      -1.670400    
 H   -6.163000      0.7279000      -1.720600    
 H   -5.072400       2.491100       1.796500    
 H   -3.966200       2.632500      0.4238000    
 H    4.191100      -3.638100      0.7610000    
 H    2.503700      -4.814000     -0.6182000    
 H    2.863500       3.078300      -2.684700    
 H    5.134700       3.098900      0.9624000    
 H    4.760100       3.942100      -1.340000    


%chk=000037636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037636

0 1
O -0.485529 1.216244 0.521907
O -6.039990 1.768085 0.168101
N -0.031576 -0.853679 -0.532419
N -3.849666 -0.130797 0.223136
C 1.750486 0.061945 0.801689
C 2.107820 -1.314662 0.250918
C 0.288331 0.253119 0.267893
C 1.027043 -1.802417 -0.531620
C -1.307735 -1.019949 -1.251068
C -2.304972 -1.953121 -0.522465
C 2.629921 1.223255 0.275541
C 1.716408 0.058609 2.360039
C -2.978199 -1.241274 0.674915
C 3.248658 -2.110440 0.432812
C 1.070935 -3.059848 -1.163598
C -5.228788 -0.562025 -0.109186
C -3.863729 1.043236 1.134599
C 3.728246 1.009224 -0.594505
C 2.323035 2.554711 0.666404
C -6.007251 0.608114 -0.735422
C -4.660202 2.185757 0.486465
C 3.312463 -3.385377 -0.190211
C 2.236798 -3.846185 -0.984836
C 4.514608 2.095037 -1.044932
C 3.106771 3.637604 0.215246
C 4.211630 3.413175 -0.639067
H -1.081400 -1.395717 -2.266433
H -1.773516 -0.022011 -1.339662
H -1.792773 -2.872730 -0.177337
H -3.080949 -2.268340 -1.246912
H 2.739041 -0.056411 2.759301
H 1.294522 1.004769 2.737516
H 1.096195 -0.774576 2.736019
H -2.193086 -0.820106 1.329352
H -3.541944 -1.986913 1.286328
H 4.082926 -1.755362 1.048313
H 0.236404 -3.429768 -1.767571
H -5.775261 -0.917812 0.801496
H -5.191474 -1.401759 -0.829762
H -2.820955 1.370797 1.295315
H -4.323672 0.794360 2.123760
H 3.970583 -0.003512 -0.929921
H 1.449368 2.744573 1.298082
H -5.530142 0.894692 -1.698132
H -7.062558 0.338260 -0.909010
H -4.764434 3.041276 1.173893
H -4.146245 2.511608 -0.443116
H 4.198956 -4.014022 -0.055942
H 2.298897 -4.829360 -1.464590
H 5.360993 1.908023 -1.715793
H 2.850624 4.657103 0.525036
H 4.821485 4.253999 -0.988266


