%chk=000176712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176712

0 1
 O   -4.705500     -0.7079000     -0.6544000    
 O   -1.526200      0.6986000      0.5626000    
 N   -2.064400      -1.522200     -9.7599998E-02
 N   -2.173200      -2.073300       1.100900    
 N   -1.482900      -3.553500     -0.5008000    
 C   -4.369500       1.658500     -0.1178000    
 C   -3.867100      0.1894000      8.2199998E-02
 C   -2.382500     -9.0800002E-02 -0.2718000    
 C   -3.574600       2.629900      0.7757000    
 C   -4.272100       2.141400      -1.576100    
 C   -5.855700       1.735600      0.3017000    
 C  -0.1675000      0.6107000      0.4201000    
 C   -1.661100      -2.373700      -1.048100    
 C   0.4203000      0.9327000     -0.7988000    
 C   0.6134000      0.1989000       1.494900    
 C   -1.805700      -3.322000      0.8058000    
 C    2.593300      0.4298000      0.1297000    
 C    1.804600      0.8420000     -0.9444000    
 C    1.997700      0.1082000       1.349300    
 C    4.028800      0.3350000     -2.1400001E-02
 C    4.608000     -0.8582000     -0.4534000    
 C    4.834200       1.437800      0.2633000    
 C    5.992100     -0.9485000     -0.6010000    
 C    6.218300       1.347400      0.1158000    
 C    6.797300      0.1542000     -0.3165000    
 H   -4.017800     -5.9099998E-02   1.141500    
 H   -2.207400      0.1354000      -1.330400    
 H   -3.484100       2.251700       1.799800    
 H   -2.573900       2.830000      0.3820000    
 H   -4.075700       3.603900      0.8334000    
 H   -4.649600       3.165500      -1.677900    
 H   -4.857800       1.508200      -2.250600    
 H   -3.235900       2.140600      -1.929700    
 H   -6.488900       1.105500     -0.3324000    
 H   -6.237700       2.760300      0.2250000    
 H   -5.989000       1.410500       1.339700    
 H   -4.494200     -0.6073000      -1.597900    
 H   -1.511600      -2.119100      -2.087800    
 H  -0.1802000       1.266900      -1.639900    
 H   0.1536000     -5.2700002E-02   2.446500    
 H   -1.772200      -4.087400       1.566800    
 H    2.252800       1.098700      -1.901300    
 H    2.597600     -0.2153000       2.196700    
 H    3.994900      -1.727500     -0.6800000    
 H    4.399400       2.375700      0.6009000    
 H    6.442900      -1.877500     -0.9376000    
 H    6.845500       2.206100      0.3373000    
 H    7.875000      8.3899997E-02 -0.4314000    


%chk=000176712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176712

0 1
O -4.782927 -0.289760 -1.178997
O -1.577550 0.177505 0.602721
N -2.445780 -1.725074 -0.590816
N -2.775305 -2.562301 0.482959
N -2.345774 -3.797516 -1.439062
C -4.165194 1.687251 0.283345
C -3.948417 0.170462 -0.048532
C -2.499731 -0.263831 -0.430378
C -3.679173 1.996838 1.726391
C -3.424165 2.602193 -0.730042
C -5.693133 1.981093 0.227537
C -0.184176 0.190861 0.348006
C -2.206252 -2.483452 -1.720634
C 0.426951 -0.123910 -0.887853
C 0.610466 0.585493 1.449383
C -2.688603 -3.793477 -0.086608
C 2.650645 0.374958 0.076292
C 1.830036 -0.027888 -1.009357
C 2.005627 0.677116 1.309564
C 4.131281 0.472797 -0.065482
C 4.992267 0.187640 1.030847
C 4.725894 0.853739 -1.300783
C 6.393948 0.281767 0.898267
C 6.127489 0.944471 -1.436205
C 6.970303 0.660090 -0.336598
H -4.274174 -0.449257 0.803684
H -2.231648 0.173234 -1.414079
H -4.234956 1.387952 2.464095
H -2.606685 1.785725 1.849158
H -3.862833 3.062500 1.959285
H -3.685643 3.659274 -0.542157
H -3.704837 2.385240 -1.781996
H -2.327177 2.509080 -0.635431
H -6.101877 1.936801 -0.797740
H -5.884857 2.995631 0.622738
H -6.259032 1.257192 0.841125
H -4.818352 0.425848 -1.864490
H -1.961028 -2.066156 -2.693615
H -0.153934 -0.467628 -1.747400
H 0.118483 0.821187 2.397799
H -2.876559 -4.698689 0.484067
H 2.294413 -0.310992 -1.960327
H 2.601867 1.015886 2.163565
H 4.563249 -0.141155 1.984322
H 4.085388 1.110568 -2.152484
H 7.036781 0.048955 1.754677
H 6.561803 1.247133 -2.395735
H 8.058577 0.731607 -0.440428


