%chk=000088950.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088950

0 1
 O    2.456600      0.6604000     -0.4449000    
 O    4.883300     -0.5345000      0.2936000    
 O   -2.563300      -3.701300     -0.4678000    
 O    1.340700       2.614700     -3.7700001E-02
 N   0.2247000      0.5592000     -0.1953000    
 C   -2.132600     -8.2500003E-02 -7.4000000E-03
 C   -3.474900      0.3113000      0.2069000    
 C   -1.120200      0.8906000      1.0500000E-02
 C   -1.842000      -1.437900     -0.2331000    
 C   -3.765200       1.666800      0.4327000    
 C   -1.426800       2.232800      0.2362000    
 C   -4.487200     -0.6618000      0.1890000    
 C   -2.746700       2.620200      0.4469000    
 C   -2.860500      -2.391400     -0.2473000    
 C   -4.180500      -2.004100     -3.6600001E-02
 C    3.689900       1.387600     -0.4889000    
 C    4.825600      0.4197000     -0.7597000    
 C    1.329800       1.401600     -0.2070000    
 C    5.919100      -1.483200      8.0200002E-02
 C    5.930100      -2.468100       1.229800    
 H  -0.8310000      -1.794300     -0.4030000    
 H   -4.789900       1.992200      0.5999000    
 H  -0.7112000       3.040100      0.2658000    
 H   -5.526000     -0.3819000      0.3513000    
 H   -2.986600       3.665000      0.6229000    
 H   0.4525000     -0.4142000     -0.3596000    
 H   -4.977700      -2.742500     -4.6700001E-02
 H    3.643700       2.141600      -1.282200    
 H    3.841600       1.876000      0.4806000    
 H    5.774100      0.9644000     -0.8208000    
 H    4.645500     -0.1050000      -1.705200    
 H    5.745100      -2.017500     -0.8606000    
 H    6.885900     -0.9704000      2.4499999E-02
 H    6.717800      -3.215100       1.097400    
 H    6.091400      -1.949300       2.180600    
 H    4.965900      -2.981400       1.307100    
 H   -1.603400      -3.793100     -0.5942000    


%chk=000088950-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088950

0 1
O 2.419433 0.644589 0.139613
O 5.091551 -0.671896 0.324575
O -2.618912 -3.751235 0.234617
O 1.341465 2.728280 -0.152503
N 0.172143 0.670810 0.085457
C -2.190665 -0.006297 0.038313
C -3.588294 0.373651 -0.012468
C -1.195720 1.047907 0.003731
C -1.863873 -1.402434 0.119082
C -3.954960 1.753982 -0.109629
C -1.586982 2.393135 -0.097128
C -4.588921 -0.655282 0.031721
C -2.967699 2.738684 -0.156049
C -2.873403 -2.371201 0.158239
C -4.252579 -2.001865 0.117462
C 3.736200 1.325936 0.173294
C 4.759034 0.459405 -0.541581
C 1.290283 1.483880 0.007841
C 6.068364 -1.582519 -0.291214
C 6.350366 -2.699070 0.713258
H -0.820778 -1.746118 0.137319
H -5.017111 2.020518 -0.148507
H -0.820956 3.170454 -0.128773
H -5.643430 -0.358761 -0.004762
H -3.243311 3.795618 -0.233892
H 0.396264 -0.312331 0.239890
H -5.008246 -2.791401 0.151605
H 3.634625 2.314541 -0.309339
H 4.023195 1.457750 1.231661
H 5.670299 1.069844 -0.740159
H 4.352091 0.111017 -1.515926
H 5.654082 -1.993612 -1.239209
H 6.999998 -1.024696 -0.539482
H 7.078453 -3.419280 0.297640
H 6.762507 -2.282100 1.648185
H 5.420175 -3.240255 0.957543
H -1.647088 -3.934948 0.267478


