%chk=000151854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151854

0 1
 O    1.781700      -2.232000      -1.003200    
 O    5.312700      0.6872000      0.2759000    
 O   -3.404000     -0.8833000       2.653100    
 O   -1.446500     -0.1056000       2.034600    
 N  -7.4900001E-02 -0.2565000     -0.5271000    
 N   -2.640900     -0.3930000       1.789000    
 C    1.689100       1.249300      0.1274000    
 C    1.232800     -6.3000000E-03 -0.3253000    
 C  -0.9610000      0.7362000     -0.2837000    
 C   -2.341500      0.3902000     -0.5237000    
 C    2.178300     -0.9999000     -0.5633000    
 C   0.7377000       2.249800      0.3673000    
 C  -0.6104000       1.995100      0.1602000    
 C    3.061500       1.475600      0.3275000    
 C    3.985300      0.4640000      8.1400000E-02
 C    3.542800     -0.7751000     -0.3646000    
 C   -3.149400     -0.1542000      0.4803000    
 C   -2.879000      0.6084000      -1.796300    
 C   -4.480000     -0.4770000      0.2142000    
 C   -4.209700      0.2856000      -2.062400    
 C   -5.010100     -0.2573000      -1.057200    
 C    1.484300      -3.205500     -7.4000000E-03
 C    6.201200     -0.3960000      3.1999999E-03
 H    1.042200       3.233600      0.7172000    
 H   -1.348300       2.768600      0.3457000    
 H    3.412500       2.444700      0.6767000    
 H    4.208000      -1.605900     -0.5769000    
 H   -2.270800       1.030100      -2.593700    
 H   -5.137900     -0.9017000      0.9682000    
 H   -4.622800      0.4566000      -3.052200    
 H   -6.046100     -0.5085000      -1.265100    
 H    2.371500      -3.421000      0.5965000    
 H    1.172500      -4.125600     -0.5096000    
 H   0.6665000      -2.865300      0.6359000    
 H    7.216000     -4.2100001E-02  0.2125000    
 H    6.174000     -0.6822000      -1.053700    
 H    6.015300      -1.246000      0.6685000    


%chk=000151854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000151854

0 1
O 2.211964 -2.304759 -1.219234
O 5.507331 0.888976 0.278565
O -4.180996 1.414972 2.586374
O -2.202064 0.285839 2.698815
N 0.062336 -0.450123 -0.346261
N -3.243701 0.696504 2.056608
C 1.834398 1.091227 0.462457
C 1.398497 -0.152618 -0.158438
C -0.879465 0.411395 0.093672
C -2.296496 0.048636 -0.212713
C 2.422551 -1.073882 -0.604110
C 0.798484 1.986459 0.902026
C -0.538802 1.656476 0.729875
C 3.210161 1.406198 0.592982
C 4.172554 0.500081 0.118533
C 3.780592 -0.735073 -0.470648
C -3.412742 0.280634 0.640003
C -2.582599 -0.497124 -1.493276
C -4.744545 0.042719 0.229106
C -3.901193 -0.770204 -1.908665
C -4.991799 -0.484316 -1.051883
C 0.960280 -3.071293 -1.056215
C 6.553874 -0.016513 -0.206767
H 1.081580 2.937251 1.366769
H -1.325603 2.345884 1.048325
H 3.534173 2.344966 1.051549
H 4.512227 -1.465082 -0.825537
H -1.735397 -0.682203 -2.160547
H -5.557613 0.255083 0.928540
H -4.080927 -1.189035 -2.904502
H -6.019455 -0.680659 -1.373141
H 0.635625 -3.081953 -0.002054
H 1.225735 -4.086387 -1.393089
H 0.153521 -2.644243 -1.669446
H 7.499563 0.500693 0.010854
H 6.463538 -0.188176 -1.296443
H 6.527014 -0.985352 0.327815


