%chk=000108751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108751

0 1
 O    3.768900      -1.740900     -0.4741000    
 O    1.691900       2.527200      0.2080000    
 O    4.029800       1.313900      -1.935500    
 N   -3.935500      0.5980000      0.3696000    
 N   -3.657500     -0.9281000      -1.474700    
 N   -2.403300      0.5765000       2.179400    
 N   -5.437700      0.5999000      -1.432900    
 C   0.3858000     -0.8636000      0.5899000    
 C  -0.8825000      -1.544000      0.9804000    
 C    2.758600      0.4084000     -0.1409000    
 C    1.502200      -1.620800      0.2350000    
 C   0.4558000      0.5295000      0.5795000    
 C    2.688600     -0.9847000     -0.1304000    
 C    1.642100       1.165400      0.2139000    
 C   -2.122000     -0.9454000      0.3463000    
 C    4.030600       1.089900     -0.5322000    
 C   -2.831800      6.2199999E-02  0.9309000    
 C   -2.562300      -1.417100     -0.8566000    
 C   -4.286900      6.3400000E-02 -0.8155000    
 C    4.661300      -2.110100      0.5751000    
 C   0.5039000       3.220400      0.5848000    
 H  -0.8419000      -2.602400      0.6846000    
 H  -0.9584000      -1.581500       2.072700    
 H    1.456000      -2.707100      0.2415000    
 H  -0.4132000       1.096700      0.8638000    
 H    4.143900       2.055800     -2.8800000E-02
 H    4.922200      0.5124000     -0.2746000    
 H   -2.055200      -2.214000      -1.389700    
 H   -2.953300       1.341700       2.552500    
 H   -1.986600     -5.0099999E-02   2.854700    
 H    5.597500      -2.451600      0.1250000    
 H    4.229500      -2.933800       1.152100    
 H    4.877900      -1.269000       1.241500    
 H   0.2290000       3.018200       1.625700    
 H  -0.3178000       3.027300     -0.1136000    
 H   0.7246000       4.291300      0.5210000    
 H    3.836700      0.4693000      -2.377300    
 H   -5.944400       1.345900     -0.9767000    
 H   -5.741400      0.2314000      -2.323500    


%chk=000108751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108751

0 1
O 3.939136 -1.053030 1.040117
O 1.722687 2.750489 -0.778296
O 5.264166 1.010453 -0.248746
N -3.665529 -0.028636 1.450974
N -4.399092 -0.277176 -0.875478
N -1.521421 -0.631532 2.143535
N -5.828117 0.567393 0.780728
C 0.443853 -0.751966 -0.325353
C -0.803106 -1.604790 -0.589421
C 2.801309 0.822510 0.112932
C 1.589493 -1.338688 0.263378
C 0.463607 0.613825 -0.684737
C 2.746564 -0.548691 0.468618
C 1.630330 1.385984 -0.463137
C -2.126583 -0.958243 -0.222491
C 4.068007 1.636227 0.337633
C -2.439195 -0.534008 1.117267
C -3.163865 -0.787496 -1.159469
C -4.589132 0.068724 0.443315
C 3.970959 -2.460915 1.444883
C 0.571279 3.385370 -1.425741
H -0.835951 -1.860615 -1.667895
H -0.690329 -2.569282 -0.051837
H 1.573273 -2.400163 0.530174
H -0.436728 1.057647 -1.119008
H 3.973082 2.613028 -0.155922
H 4.220226 1.800445 1.426581
H -3.005701 -1.082635 -2.205453
H -1.805209 -0.289931 3.060180
H -0.537479 -0.809257 1.949771
H 4.976502 -2.619567 1.861408
H 3.814392 -3.130800 0.578080
H 3.210008 -2.668561 2.221062
H -0.322243 3.359344 -0.772955
H 0.339202 2.902673 -2.394354
H 0.878410 4.427866 -1.593924
H 5.328418 0.103507 0.154509
H -6.013755 0.833545 1.743112
H -6.536368 0.647455 0.056862


