%chk=000178987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178987

0 1
 O   -6.667100       1.169500     -0.1890000    
 O    6.537300       1.810900      0.2977000    
 O    7.018400     -0.1716000     -0.5133000    
 N   -1.438100     -0.6200000      8.9400001E-02
 N   0.2749000      -2.017400      0.3023000    
 N    6.189300      0.6681000     -8.6599998E-02
 C   0.7253000     -0.7387000      0.1123000    
 C   -2.752900     -0.1700000      1.9099999E-02
 C  -0.3130000      0.1473000     -2.3200000E-02
 C    2.115100     -0.3810000      6.1900001E-02
 C   -1.035400      -1.911900      0.2839000    
 C   -3.008500       1.181500     -0.1840000    
 C   -3.799200      -1.076300      0.1528000    
 C    2.525400      0.8836000      0.4838000    
 C    3.054600      -1.298000     -0.4093000    
 C   -4.326500       1.632700     -0.2541000    
 C   -5.117300     -0.6253000      8.2599998E-02
 C   -5.381000      0.7293000     -0.1208000    
 C    3.875400       1.231200      0.4345000    
 C    4.404700     -0.9505000     -0.4586000    
 C    4.815100      0.3142000     -3.6600001E-02
 C   -7.696500      0.1922000     -4.4799998E-02
 H  -0.3151000       1.214800     -0.1924000    
 H   -1.697500      -2.757100      0.4088000    
 H   -2.232700       1.931000     -0.2944000    
 H   -3.656000      -2.139300      0.3124000    
 H    1.821900       1.617400      0.8689000    
 H    2.756700      -2.287800     -0.7470000    
 H   -4.526700       2.688900     -0.4125000    
 H   -5.888600      -1.379900      0.1942000    
 H    4.159300       2.224000      0.7740000    
 H    5.108500      -1.689900     -0.8323000    
 H   -7.667400     -0.5453000     -0.8541000    
 H   -8.654100      0.7171000     -0.1253000    
 H   -7.671000     -0.2761000      0.9449000    


%chk=000178987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178987

0 1
O -6.848641 1.097136 0.224331
O 6.739242 1.819626 -0.569704
O 7.244507 -0.371845 -0.178688
N -1.454582 -0.613157 0.228410
N 0.365434 -1.956621 0.421153
N 6.396993 0.595311 -0.323347
C 0.789436 -0.632571 0.155130
C -2.831031 -0.201674 0.209881
C -0.333886 0.203237 0.039923
C 2.211461 -0.298663 0.030939
C -0.972199 -1.911454 0.456446
C -3.216642 1.024236 0.810703
C -3.806249 -1.019246 -0.402569
C 2.650387 1.030963 -0.235144
C 3.186140 -1.327537 0.178406
C -4.560848 1.426898 0.788929
C -5.162829 -0.629784 -0.411587
C -5.542495 0.600865 0.181617
C 4.016731 1.329872 -0.352721
C 4.556393 -1.043421 0.065020
C 4.959322 0.286141 -0.200798
C -7.908621 0.286332 -0.384766
H -0.435060 1.258102 -0.197427
H -1.632182 -2.746864 0.674902
H -2.469076 1.647042 1.312826
H -3.506617 -1.950571 -0.894773
H 1.918491 1.837454 -0.351154
H 2.835907 -2.343251 0.382694
H -4.878715 2.367184 1.248247
H -5.900109 -1.277724 -0.893492
H 4.370489 2.343556 -0.557511
H 5.316708 -1.820796 0.176345
H -7.734270 0.148385 -1.469231
H -8.832737 0.860715 -0.227969
H -7.993550 -0.700273 0.110178


