%chk=000135683.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135683

0 1
 O    2.198500      -2.807300      0.1118000    
 O   -1.148000     -0.8837000      0.9926000    
 N   -2.812300      0.3521000     -4.6300001E-02
 N   -6.183000      -1.178500     -0.4556000    
 N    1.252600     -0.2225000      0.1135000    
 C   0.7811000       1.039400      0.1153000    
 C    1.629600       2.149000     -3.6600001E-02
 C  -0.5825000       1.274200      0.2704000    
 C    3.493100      0.5986000     -0.1946000    
 C   -3.853400     -0.6445000      6.1799999E-02
 C   -5.155900     -0.1491000     -0.5493000    
 C    2.571700     -0.4505000     -3.6600001E-02
 C    2.998200       1.906600     -0.1919000    
 C   -1.513200      0.1623000      0.4328000    
 C    1.104800       3.453200     -3.0400001E-02
 C   -1.107400       2.569000      0.2770000    
 C    3.058200      -1.755100     -3.8300000E-02
 C  -0.2623000       3.660900      0.1263000    
 C    4.863500      0.3257000     -0.3490000    
 C    4.419500      -2.029700     -0.1914000    
 C    5.324300     -0.9875000     -0.3472000    
 C   -7.428800     -0.7228000      -1.075700    
 C   -6.418100      -1.548000      0.9416000    
 C    2.770000      -4.111700      9.9799998E-02
 H   -3.498100      -1.554000     -0.4366000    
 H   -3.939100     -0.8574000       1.131600    
 H   -5.471200      0.7801000     -5.5300001E-02
 H   -4.976500      9.9699996E-02  -1.603400    
 H    3.684600       2.743800     -0.3121000    
 H   -3.037900       1.196400     -0.5624000    
 H    1.759300       4.314300     -0.1458000    
 H   -2.163400       2.770800      0.4327000    
 H  -0.6632000       4.669700      0.1388000    
 H    5.579200       1.135700     -0.4717000    
 H    4.847400      -3.025900     -0.1996000    
 H    6.383600      -1.193700     -0.4667000    
 H   -7.264600     -0.4717000      -2.129600    
 H   -7.843700      0.1576000     -0.5714000    
 H   -8.181900      -1.518500      -1.058300    
 H   -6.600300     -0.6766000       1.581200    
 H   -5.591600      -2.134700       1.354100    
 H   -7.293500      -2.204500       1.019500    
 H    3.452600      -4.264500      0.9429000    
 H    3.233500      -4.343900     -0.8652000    
 H    1.947300      -4.822800      0.2308000    


%chk=000135683-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135683

0 1
O 0.521420 -2.257038 -0.318418
O -3.049126 2.201884 1.541983
N -1.973577 0.222804 0.906917
N -4.841226 -1.996031 -0.229020
N 0.584274 0.384141 0.187660
C 0.539437 1.726424 0.459743
C 1.721428 2.567927 0.285023
C -0.698533 2.324527 0.927280
C 2.961753 0.567566 -0.456333
C -3.158666 -0.624918 1.054963
C -3.785605 -0.959676 -0.322396
C 1.734142 -0.190470 -0.253774
C 2.912885 1.954051 -0.173258
C -2.006441 1.574537 1.148000
C 1.640285 3.972386 0.579357
C -0.716216 3.696432 1.195427
C 1.739351 -1.616957 -0.535885
C 0.442153 4.521436 1.026016
C 4.144606 -0.104206 -0.923932
C 2.908152 -2.236259 -0.988611
C 4.107431 -1.469991 -1.179450
C -5.191290 -2.543535 -1.555697
C -6.042878 -1.538874 0.502055
C 0.457238 -3.700351 -0.576365
H -2.879542 -1.572804 1.551746
H -3.876587 -0.082714 1.693262
H -4.159081 -0.010960 -0.785655
H -2.985266 -1.352189 -0.979241
H 3.814305 2.564168 -0.311345
H -1.056195 -0.157357 0.573368
H 2.532129 4.596386 0.446250
H -1.665353 4.118983 1.543276
H 0.375032 5.590937 1.251637
H 5.064606 0.471450 -1.073583
H 2.927568 -3.308360 -1.204199
H 5.005536 -1.986352 -1.535316
H -4.285680 -2.946900 -2.043983
H -5.645583 -1.786287 -2.245356
H -5.914823 -3.370760 -1.437615
H -6.548168 -0.667700 0.012074
H -5.778699 -1.243187 1.530945
H -6.770589 -2.367894 0.565724
H 1.161271 -4.253201 0.074812
H 0.673686 -3.925237 -1.638497
H -0.576865 -3.985829 -0.336087


