%chk=000159849.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159849

0 1
 O    2.341000     -0.2791000      0.9154000    
 O    1.878800      3.1999999E-03  -2.058000    
 O    4.581900      0.4452000      -1.802400    
 O    4.485700      -1.711900       2.058000    
 O   -1.891100      -3.116800     -0.2427000    
 O   -3.798900      -1.848500     -0.1574000    
 N   0.1866000      0.4221000      0.1667000    
 N  -0.7361000       2.641800      0.3723000    
 N   -3.170000       2.677000      0.3198000    
 N   -4.482800      0.7011000      8.7700002E-02
 C    1.603200      0.7598000      0.2339000    
 C    2.296700      0.9801000      -1.108700    
 C    3.737000      0.7282000     -0.7078000    
 C    3.592000     -0.4670000      0.2256000    
 C    4.719900     -0.5805000       1.235500    
 C  -0.8609000       1.310500      0.2334000    
 C  -0.3183000     -0.8510000      2.5000000E-02
 C   -2.047300      0.5941000      0.1328000    
 C   -1.694700     -0.7734000      1.1000000E-03
 C   -3.228900       1.332300      0.1809000    
 C   -2.557500      -1.912400     -0.1353000    
 C   -1.943900       3.240700      0.4056000    
 C   -2.692400      -4.295600     -0.3814000    
 H    1.697400       1.653300      0.8634000    
 H    2.115100       1.972100      -1.531900    
 H    4.131500       1.599800     -0.1718000    
 H    3.511400      -1.409900     -0.3300000    
 H    5.686700     -0.7064000      0.7397000    
 H    4.767200      0.2987000       1.886300    
 H   0.3480000      -1.700400     -5.1399998E-02
 H    2.340600      0.1944000      -2.892000    
 H    4.263600     -0.3665000      -2.232200    
 H    3.620800      -1.589500       2.485600    
 H   -1.931200       4.319600      0.5161000    
 H   -4.575200     -0.2957000     -1.5200000E-02
 H   -5.314000       1.276100      0.1279000    
 H   -3.292000      -4.238200      -1.294600    
 H   -2.022200      -5.156100     -0.4534000    
 H   -3.333800      -4.420500      0.4959000    


%chk=000159849-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159849

0 1
O 2.405138 0.028592 1.073449
O 1.943081 -0.046653 -2.093460
O 4.599114 0.071986 -1.914588
O 4.378654 -1.633804 2.369376
O -1.750250 -3.139110 -0.361933
O -3.745648 -1.954293 -0.197438
N 0.252220 0.503776 0.108330
N -0.761425 2.722619 0.401954
N -3.212078 2.706969 0.398634
N -4.492029 0.751626 0.130325
C 1.644713 0.945468 0.208853
C 2.392398 0.990651 -1.158016
C 3.837090 0.560659 -0.785945
C 3.591842 -0.496457 0.321473
C 4.722537 -0.658625 1.332592
C -0.850579 1.373715 0.228020
C -0.213224 -0.796555 -0.060604
C -2.036339 0.595643 0.119124
C -1.618682 -0.787889 -0.061213
C -3.264267 1.338744 0.214596
C -2.477353 -1.960602 -0.205465
C -1.992890 3.310778 0.482524
C -2.553130 -4.377233 -0.500619
H 1.609806 1.949254 0.669176
H 2.332327 1.993573 -1.617241
H 4.398486 1.420043 -0.378832
H 3.327549 -1.473756 -0.128479
H 5.617846 -1.059635 0.829263
H 4.964191 0.331749 1.775211
H 0.465087 -1.640865 -0.134356
H 1.061384 0.181827 -2.476971
H 3.965130 -0.437660 -2.488998
H 3.535881 -1.332190 2.796797
H -2.003816 4.394908 0.629386
H -4.554203 -0.270095 0.005276
H -5.313927 1.347557 0.213895
H -3.200467 -4.315970 -1.391409
H -1.809933 -5.179919 -0.604013
H -3.180335 -4.528126 0.393725


