%chk=000019647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019647

0 1
 O   0.6994000      6.6399999E-02  0.5166000    
 O    2.772700       1.838300     -0.4138000    
 N   -1.993000      0.8671000      9.0499997E-02
 C   -2.161200      0.6558000      -1.351200    
 C   -3.225800       1.282700      0.7685000    
 C  -0.9165000       1.818200      0.3693000    
 C   -2.018000     -0.8268000      -1.712500    
 C   -4.430100      0.3515000      0.5872000    
 C   -3.095600      -1.774300      -1.172700    
 C   -4.224800      -1.091500       1.047900    
 C   -3.128000      -1.903000      0.3521000    
 C   0.4231000       1.309600     -0.1430000    
 C    1.540300       2.303600      0.1455000    
 C    1.994900     -0.3390000      0.3312000    
 C    2.997300      0.5170000     -0.1300000    
 C    2.295100      -1.667200      0.6350000    
 C    4.290900      3.4400001E-02 -0.3298000    
 C    3.592100      -2.145600      0.4480000    
 C    4.587200      -1.297400     -3.8899999E-02
 H   -3.135400       1.017500      -1.703400    
 H   -1.456900       1.234100      -1.959300    
 H   -3.029800       1.354400       1.846400    
 H   -3.518200       2.287700      0.4356000    
 H   -1.142600       2.800500     -6.5499999E-02
 H  -0.8369000       1.951200       1.456500    
 H   -1.030400      -1.188900      -1.399600    
 H   -2.029100     -0.9040000      -2.807600    
 H   -4.784700      0.3686000     -0.4486000    
 H   -5.258800      0.7699000       1.174300    
 H   -2.872100      -2.767900      -1.583600    
 H   -4.079500      -1.504500      -1.571900    
 H   -5.177200      -1.619400      0.9071000    
 H   -4.033400      -1.103000       2.128100    
 H   -3.308400      -2.957100      0.6020000    
 H   -2.147700      -1.672900      0.7850000    
 H   0.4140000       1.115600      -1.221700    
 H    1.322000       3.275700     -0.3091000    
 H    1.684700       2.456900       1.222700    
 H    1.523600      -2.336500       1.005900    
 H    5.074000      0.6903000     -0.7002000    
 H    3.826700      -3.181000      0.6774000    
 H    5.595300      -1.673700     -0.1876000    


%chk=000019647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019647

0 1
O 0.601945 0.137283 0.586779
O 2.795525 1.698986 -0.551913
N -2.131990 1.095455 -0.050933
C -2.481336 0.892374 -1.475259
C -3.254345 1.264891 0.894690
C -0.975070 1.955300 0.207747
C -2.192550 -0.538080 -2.001842
C -4.318669 0.149537 0.812549
C -2.998457 -1.685825 -1.337877
C -3.828492 -1.285554 1.122768
C -2.732690 -1.868287 0.186927
C 0.360430 1.344914 -0.245586
C 1.540674 2.313074 -0.068994
C 1.911025 -0.383476 0.465399
C 2.977577 0.370972 -0.097302
C 2.145975 -1.694848 0.927213
C 4.260822 -0.199237 -0.217889
C 3.434689 -2.260561 0.817602
C 4.490321 -1.516241 0.235686
H -3.553199 1.131873 -1.639578
H -1.915243 1.618136 -2.101450
H -2.828955 1.273481 1.918355
H -3.777048 2.249551 0.753827
H -1.061467 2.961298 -0.287291
H -0.909446 2.135859 1.297519
H -1.113839 -0.750915 -1.864347
H -2.386592 -0.544896 -3.096020
H -4.798420 0.168596 -0.185670
H -5.120988 0.414172 1.531789
H -2.730127 -2.621375 -1.867954
H -4.083179 -1.538002 -1.522980
H -4.715985 -1.952126 1.089150
H -3.453920 -1.320043 2.166907
H -2.648667 -2.950427 0.415216
H -1.760066 -1.407183 0.433323
H 0.315642 1.027438 -1.307406
H 1.412413 3.222138 -0.678525
H 1.653447 2.588043 0.999033
H 1.308284 -2.252535 1.358260
H 5.061156 0.404282 -0.657741
H 3.611073 -3.279533 1.177449
H 5.488941 -1.955206 0.141169


