%chk=000176569.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176569

0 1
 O   -4.199000       1.651900     -0.3300000    
 O    5.352500     -0.5075000      0.5897000    
 O   -3.180800      -3.986800      7.0000002E-03
 O   -5.236900      9.3000000E-03  0.8494000    
 O   -4.962400      -2.592200      0.2263000    
 O    5.329600     -0.4168000      -1.710300    
 N  -0.8634000     -0.7896000     -0.1033000    
 N   -1.463200      -1.992200     -8.7200001E-02
 C   -1.726500      0.2631000      1.6200000E-02
 C   -2.980000     -0.2965000      0.1168000    
 C   0.5245000     -0.7165000     -0.2338000    
 C   -1.319800       1.647100      2.5800001E-02
 C   -2.755900      -1.684600      4.7400001E-02
 C    1.090000     -0.6388000      -1.499500    
 C    1.319900     -0.7221000      0.9042000    
 C   -1.007900       2.273400       1.232500    
 C   -1.238800       2.359400      -1.170900    
 C    3.285100     -0.5704000     -0.4931000    
 C    2.476700     -0.5655000      -1.629700    
 C    2.706700     -0.6486000      0.7738000    
 C   -4.215800      0.4163000      0.2598000    
 C   -3.730900      -2.737600      0.1040000    
 C  -0.6156000       3.611900       1.242800    
 C  -0.8463000       3.697800      -1.160600    
 C  -0.5346000       4.324000      4.6300001E-02
 C    4.730900     -0.4911000     -0.6290000    
 C    6.782300     -0.4331000      0.5880000    
 C    7.279500     -0.4645000       2.017500    
 H   0.4705000     -0.6339000      -2.392700    
 H   0.8805000     -0.7824000       1.896700    
 H   -1.066000       1.732300       2.174000    
 H   -1.478100       1.885900      -2.120100    
 H    2.906800     -0.5045000      -2.626000    
 H    3.296300     -0.6547000       1.686300    
 H  -0.3728000       4.099600       2.182300    
 H  -0.7831000       4.252400      -2.092300    
 H  -0.2289000       5.366100      5.4099999E-02
 H   -5.054000       2.119400     -0.2170000    
 H    7.189900      -1.285700      3.3799998E-02
 H    7.097100      0.4985000      0.1053000    
 H   -3.865200      -4.688500      4.7499999E-02
 H    8.371000     -0.4092000       2.053300    
 H    6.863800      0.3724000       2.588300    
 H    6.955000      -1.382700       2.518000    


%chk=000176569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176569

0 1
O -4.654539 1.039540 -1.097698
O 5.607656 -0.839056 0.755502
O -2.996673 -3.834379 1.298049
O -5.276681 -0.112669 0.819911
O -4.630700 -2.984177 -0.123620
O 5.528642 0.763431 -0.936744
N -0.785654 -0.549662 0.100869
N -1.277893 -1.820485 0.394383
C -1.806756 0.382063 -0.155203
C -3.012192 -0.343803 -0.029611
C 0.643779 -0.394224 0.040386
C -1.556647 1.833957 -0.313686
C -2.630407 -1.684772 0.319415
C 1.243957 0.479382 -0.898930
C 1.439948 -1.176854 0.911932
C -0.807612 2.530125 0.675218
C -2.057541 2.547016 -1.433883
C 3.453690 -0.174253 -0.058416
C 2.645128 0.589510 -0.938179
C 2.840852 -1.064175 0.861125
C -4.399380 0.168981 -0.025420
C -3.527406 -2.857272 0.453825
C -0.560292 3.911683 0.540839
C -1.801341 3.929075 -1.567376
C -1.052419 4.615365 -0.583803
C 4.934387 -0.014712 -0.148173
C 7.100074 -0.747484 0.732982
C 7.617773 -1.728507 1.779152
H 0.629292 1.053674 -1.595885
H 0.951027 -1.868161 1.602762
H -0.431419 1.991259 1.551853
H -2.645888 2.016783 -2.187105
H 3.134508 1.257047 -1.654265
H 3.469614 -1.658716 1.528767
H 0.012657 4.437958 1.311642
H -2.187566 4.468530 -2.438881
H -0.855750 5.687858 -0.689966
H -5.592676 1.366153 -1.019761
H 7.445540 -0.991753 -0.287837
H 7.385426 0.297745 0.950429
H -3.622732 -4.608832 1.316916
H 8.722421 -1.699993 1.801741
H 7.243904 -1.468959 2.784326
H 7.302587 -2.759437 1.544019


