%chk=000178970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178970

0 1
 O    5.276900     -7.5099997E-02  0.4530000    
 O   -2.032300      -2.097000     -0.6854000    
 O  -0.8809000       1.729700     -0.4763000    
 O   -5.827300       1.719500      0.5115000    
 N  -0.2501000     -0.4354000      0.1719000    
 C    1.161700     -0.3435000      0.2431000    
 C   -2.573900      0.1727000     -0.1286000    
 C    3.920700     -0.1639000      0.3828000    
 C   -1.171400      0.5630000     -0.1703000    
 C    1.776300      0.8612000     -5.1300000E-02
 C    1.894500      -1.460700      0.6058000    
 C    3.166600      0.9518000      1.9099999E-02
 C    3.284600      -1.370000      0.6762000    
 C   -2.958500      -1.142900     -0.3866000    
 C   -3.537700       1.134700      0.1737000    
 C   -4.886300      0.7809000      0.2177000    
 C   -4.307100      -1.496700     -0.3423000    
 C   -5.271100     -0.5347000     -4.0199999E-02
 C    5.913000      0.8548000     -0.4225000    
 C    7.302400      0.3515000     -0.7511000    
 H  -0.6167000      -1.348200      0.4306000    
 H    1.263800       1.768700     -0.3330000    
 H    1.409000      -2.404900      0.8360000    
 H    3.621300       1.915900     -0.1894000    
 H    3.866900      -2.242400      0.9602000    
 H   -3.247300       2.161800      0.3820000    
 H   -4.621300      -2.517800     -0.5415000    
 H   -6.320100     -0.8161000     -7.6000001E-03
 H    5.369600      0.9612000      -1.369800    
 H    5.979700       1.829100      7.4100003E-02
 H    7.824500       1.047300      -1.414000    
 H    7.892500      0.2246000      0.1625000    
 H    7.252900     -0.6291000      -1.236200    
 H   -2.485200      -2.945200     -0.8314000    
 H   -5.386100       2.573200      0.6610000    


%chk=000178970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178970

0 1
O 5.382635 -0.357313 -0.212598
O -2.214754 -2.315529 0.131510
O -0.939489 1.772718 -0.097821
O -5.988491 1.874728 0.062884
N -0.274866 -0.478491 -0.015084
C 1.139506 -0.349729 -0.069610
C -2.671175 0.086023 0.037907
C 3.980499 -0.278453 -0.169143
C -1.224557 0.530464 -0.030402
C 1.821768 0.891510 -0.153534
C 1.901140 -1.553594 -0.036752
C 3.232842 0.923975 -0.202644
C 3.302613 -1.521109 -0.085720
C -3.153759 -1.250290 0.113264
C -3.629434 1.131392 0.021617
C -5.010784 0.864819 0.077527
C -4.540208 -1.520139 0.169745
C -5.475149 -0.469087 0.152215
C 6.137047 0.907442 -0.294801
C 7.617776 0.537639 -0.325581
H -0.649331 -1.437054 0.043104
H 1.240015 1.814464 -0.179971
H 1.387166 -2.520840 0.028205
H 3.730720 1.896012 -0.267363
H 3.892660 -2.442133 -0.060318
H -3.228798 2.151757 -0.037179
H -4.895865 -2.557098 0.228034
H -6.550263 -0.662962 0.195341
H 5.840202 1.456694 -1.212432
H 5.897621 1.538723 0.586097
H 8.236515 1.451203 -0.390330
H 7.900227 -0.013331 0.587724
H 7.841220 -0.099648 -1.198174
H -2.663258 -3.193523 0.177986
H -5.568391 2.768760 0.010000


