%chk=000086314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086314

0 1
 O   -8.327000      0.7423000      -1.352300    
 O    8.321200     -0.8097000      -1.324900    
 O   -8.494600       1.014400      0.8277000    
 O    8.505500     -0.9707000      0.8647000    
 N   -4.359400     -0.3905000      0.1081000    
 N    4.362600      0.3887000      0.1060000    
 N   -7.983100      0.5282000     -0.1858000    
 N    7.985600     -0.5373000     -0.1682000    
 C  -0.6455000      0.4536000      0.1056000    
 C   0.6179000     -0.4093000      0.1438000    
 C   -6.856000     -0.4260000      2.2900000E-02
 C    6.858000      0.4242000      3.0000001E-04
 C   -1.908600     -0.4113000      0.1336000    
 C    1.913300      0.4085000      0.1488000    
 C   -5.568500      0.4169000      2.7400000E-02
 C    5.572300     -0.4194000      5.7200000E-02
 C   -3.168700      0.4495000      5.9300002E-02
 C    3.172900     -0.4562000      0.1087000    
 C   -7.114400      -1.117100       1.362600    
 C   -6.923700      -1.418700      -1.137500    
 C    7.125000       1.182800       1.301300    
 C    6.915100       1.357000      -1.209300    
 H  -0.6386000       1.070100     -0.8013000    
 H  -0.6482000       1.137700      0.9628000    
 H   0.6204000      -1.079300     -0.7252000    
 H   0.5964000      -1.047800       1.035600    
 H   -1.890900      -1.114300     -0.7088000    
 H   -1.918400      -1.009600       1.053500    
 H    1.909800       1.084100     -0.7165000    
 H    1.928400       1.042500       1.044700    
 H   -5.531900       1.019600     -0.8908000    
 H   -5.595600       1.127700      0.8650000    
 H    5.607200      -1.087000      0.9293000    
 H    5.530400      -1.067900     -0.8290000    
 H   -3.172700       1.160500      0.8945000    
 H   -3.152900       1.026100     -0.8735000    
 H    3.150000      -1.077700     -0.7945000    
 H    3.181100      -1.124400      0.9783000    
 H   -4.360900     -0.9343000      0.9701000    
 H    4.368900      0.9749000      0.9397000    
 H   -6.391300      -1.924400       1.527700    
 H   -8.111600      -1.572700       1.403200    
 H   -7.021600     -0.4325000       2.214300    
 H   -6.199400      -2.229400     -0.9946000    
 H   -7.911500      -1.888900      -1.220100    
 H   -6.687600     -0.9548000      -2.103000    
 H    6.401500       1.996200       1.430700    
 H    8.121600       1.641600       1.311300    
 H    7.039900      0.5420000       2.187300    
 H    6.190100       2.172700      -1.102200    
 H    7.901300       1.824100      -1.323000    
 H    6.672700      0.8444000      -2.148200    


%chk=000086314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086314

0 1
O -7.729209 1.743866 -0.572741
O 7.720111 -1.777649 -0.494474
O -8.932251 -0.176231 -0.355002
O 8.929951 0.146536 -0.370147
N -4.412459 -0.463755 0.946202
N 4.416472 0.510424 0.932286
N -7.820978 0.458138 -0.489633
N 7.816245 -0.489722 -0.471890
C -0.649388 0.444554 0.890103
C 0.651281 -0.389508 0.903097
C -6.483157 -0.337110 -0.485255
C 6.480905 0.309031 -0.500830
C -1.923749 -0.428948 0.902195
C 1.926927 0.482050 0.890331
C -5.731447 0.153500 0.817149
C 5.733045 -0.116426 0.826624
C -3.219161 0.406144 0.891962
C 3.220018 -0.356578 0.907957
C -6.774242 -1.840546 -0.428304
C -5.698389 0.058752 -1.750380
C 6.775917 1.812633 -0.517283
C 5.690554 -0.144630 -1.742724
H -0.657770 1.096064 -0.008147
H -0.657970 1.123606 1.767989
H 0.659970 -1.067306 0.024517
H 0.658508 -1.042444 1.800636
H -1.929360 -1.108647 0.027641
H -1.912291 -1.076163 1.805566
H 1.935242 1.134209 -0.004941
H 1.915638 1.156922 1.773194
H -5.647504 1.255122 0.757198
H -6.378678 -0.083395 1.685973
H 6.384246 0.160837 1.680273
H 5.646613 -1.219619 0.820386
H -3.189071 1.137810 1.736692
H -3.263297 1.002062 -0.040256
H 3.261265 -0.984273 -0.003224
H 3.188114 -1.059109 1.777080
H -4.352347 -1.184636 1.670430
H 4.358270 1.256318 1.630846
H -5.804469 -2.365221 -0.376055
H -7.317211 -2.181833 -1.325194
H -7.378431 -2.107437 0.455142
H -4.696966 -0.399529 -1.679389
H -6.194953 -0.317728 -2.661801
H -5.597172 1.153940 -1.827811
H 5.807497 2.341191 -0.481680
H 7.312142 2.110096 -1.433660
H 7.387626 2.119410 0.347793
H 4.693263 0.325359 -1.694335
H 6.188703 0.180352 -2.672930
H 5.579898 -1.241385 -1.763874


