%chk=000159966.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159966

0 1
 O   -3.485200       1.154600     -0.2862000    
 O   -4.018100      -1.543800     -0.2414000    
 O   -1.878100      -3.273300     -0.1195000    
 O    2.444200      -1.511400       1.322200    
 O    4.953300     -0.8703000      0.5622000    
 N  -0.8485000       1.828600      0.9895000    
 C   4.6999998E-02 -0.1975000      0.3028000    
 C   -1.048100      0.8516000     -0.1061000    
 C  -0.1033000     -0.2395000       1.851500    
 C  -0.7295000       1.450700      -1.493000    
 C  -0.7285000       1.095700       2.243100    
 C  -0.2040000      -1.580900     -0.3295000    
 C    1.483100      0.2190000     -8.9699998E-02
 C   -2.450900      0.2358000     -0.1768000    
 C   0.6345000       2.127100      -1.552700    
 C    1.736500       1.286000     -0.9727000    
 C   -1.622300      -2.071200     -0.1797000    
 C   -2.720400      -1.077800     -0.1874000    
 C   -1.710200       2.990600       1.083800    
 C    2.586700     -0.5095000      0.4029000    
 C    3.062100       1.623800      -1.301500    
 C    3.896600     -0.1725000      5.9599999E-02
 C    4.134800      0.8987000     -0.7903000    
 C   -4.396100      0.9971000      0.7789000    
 C   -4.436500      -1.714400      -1.582100    
 C    5.400900      -1.997300     -0.1880000    
 H   0.8230000     -0.3617000       2.414800    
 H  -0.7711000      -1.049000       2.169500    
 H   -1.491100       2.179500      -1.798900    
 H  -0.7579000      0.6531000      -2.249000    
 H   -1.699100      0.9230000       2.722800    
 H  -9.0999998E-02   1.637100       2.950200    
 H   0.4393000      -2.343400      0.1242000    
 H   1.7200001E-02  -1.568900      -1.404700    
 H   0.6057000       3.082600      -1.014900    
 H   0.8577000       2.356200      -2.602200    
 H   -1.223400       3.747200       1.710400    
 H   -2.676400       2.782500       1.545400    
 H   -1.874000       3.463200      0.1108000    
 H    3.262500       2.461200      -1.966300    
 H    5.150000       1.177000      -1.059000    
 H    3.322300      -1.830300       1.591700    
 H   -3.947500      0.6143000       1.703600    
 H   -5.246400      0.3765000      0.4805000    
 H   -4.813300       1.983900       1.007800    
 H   -4.431600     -0.7655000      -2.129600    
 H   -5.464100      -2.090000      -1.572000    
 H   -3.814600      -2.450300      -2.103500    
 H    6.217300      -2.472900      0.3623000    
 H    5.776600      -1.679200      -1.165700    
 H    4.593800      -2.725700     -0.3155000    


%chk=000159966-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159966

0 1
O -3.323967 1.498215 -0.157955
O -4.196535 -1.224419 0.332168
O -2.145538 -3.224506 0.027007
O 2.238393 -2.005084 0.827637
O 4.723849 -1.588885 0.125284
N -0.780347 1.770703 1.191947
C 0.002524 -0.258254 0.264237
C -1.000462 0.923640 -0.014034
C -0.079378 -0.432472 1.830310
C -0.672884 1.691469 -1.317697
C -0.661919 0.895462 2.378309
C -0.441369 -1.550271 -0.482261
C 1.441193 0.090683 -0.177815
C -2.461003 0.410724 -0.087130
C 0.730575 2.307519 -1.244821
C 1.786389 1.270079 -0.906664
C -1.852835 -1.991998 -0.118374
C -2.853346 -0.918889 0.010615
C -1.479573 3.041714 1.403968
C 2.491319 -0.815577 0.118852
C 3.123243 1.502097 -1.302464
C 3.832625 -0.562978 -0.275829
C 4.163397 0.597943 -0.992645
C -4.741144 1.347155 -0.547568
C -4.879873 -2.235083 -0.506937
C 6.133863 -1.434055 -0.228005
H 0.912597 -0.655589 2.245625
H -0.733364 -1.283165 2.086620
H -1.436227 2.470936 -1.490636
H -0.736295 0.982016 -2.165957
H -1.649506 0.722925 2.869273
H -0.001649 1.376344 3.125421
H 0.242568 -2.379364 -0.242863
H -0.388711 -1.378450 -1.576769
H 0.736131 3.090783 -0.462230
H 0.980855 2.801440 -2.203035
H -0.923601 3.629351 2.160566
H -2.528332 2.919953 1.756541
H -1.510974 3.626488 0.469545
H 3.356760 2.413640 -1.864741
H 5.190045 0.800950 -1.310982
H 3.104041 -2.488218 0.922460
H -5.321538 0.872724 0.256862
H -4.826092 0.742779 -1.469181
H -5.080572 2.377989 -0.735513
H -4.976356 -1.870806 -1.550341
H -5.878012 -2.351313 -0.056732
H -4.326998 -3.186853 -0.481824
H 6.639124 -2.322803 0.177618
H 6.557931 -0.519467 0.229260
H 6.264880 -1.396924 -1.326525


