%chk=000166484.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166484

0 1
 O    2.503200      -1.569400     -0.7045000    
 O   0.2066000     -5.4200001E-02 -0.5344000    
 O  -0.8292000       1.969200     -0.6883000    
 N   -3.632300       2.031000     -0.7393000    
 N   -4.374200      0.6169000      0.8661000    
 N   -4.837900       2.348200     -0.2468000    
 N   -5.317300       1.537400      0.7067000    
 C    3.638100      0.8850000      0.3481000    
 C    4.459000       2.165800      0.1731000    
 C    4.435800     -0.3896000      7.7299997E-02
 C    3.667300       3.440400      0.4682000    
 C    3.570600      -1.633400      0.2313000    
 C    1.330600      -2.163600     -0.3420000    
 C   0.1499000      -1.429700     -0.2472000    
 C    4.503800       4.684600      0.2105000    
 C   -1.051600      -2.020800      0.1201000    
 C    1.302700      -3.527500     -5.9700001E-02
 C   -2.244100      -1.194100      0.1940000    
 C   -1.072300      -3.389100      0.4014000    
 C   -2.208000      0.1208000     -7.7799998E-02
 C   0.1038000      -4.139400      0.3115000    
 C  -0.9157000      0.7669000     -0.4574000    
 C   -3.389000      0.9445000     -1.1000000E-02
 H    2.778100      0.9382000     -0.3290000    
 H    3.236800      0.8513000       1.368600    
 H    5.334700       2.124800      0.8326000    
 H    4.839600       2.205300     -0.8552000    
 H    5.289900     -0.4498000      0.7610000    
 H    4.830500     -0.3479000     -0.9452000    
 H    2.770200       3.474000     -0.1608000    
 H    3.332500       3.435900       1.511800    
 H    4.170600      -2.526600      2.4200000E-02
 H    3.196200      -1.696100       1.261400    
 H    3.920900       5.584700      0.4296000    
 H    5.396400       4.695000      0.8440000    
 H    4.823400       4.733200     -0.8354000    
 H    2.204300      -4.129700     -0.1318000    
 H   -3.170500      -1.690200      0.4697000    
 H   -1.995500      -3.884800      0.6909000    
 H   8.3999999E-02  -5.203500      0.5293000    
 H   -5.357600       3.154500     -0.5766000    


%chk=000166484-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166484

0 1
O 2.035474 -0.820902 -0.194786
O -0.472323 0.112996 -0.425837
O -1.777996 1.926176 -0.962577
N -4.656532 1.647219 -0.853928
N -5.417129 -0.417422 -0.158065
N -6.020683 1.558388 -0.799121
N -6.518091 0.327671 -0.383187
C 4.213961 1.094198 0.493597
C 5.113627 2.274740 0.065833
C 4.334291 -0.120343 -0.452931
C 5.010017 3.489613 1.015867
C 3.433203 -1.292957 -0.062210
C 1.014233 -1.708846 0.112245
C -0.316057 -1.206959 -0.016468
C 5.898165 4.674133 0.577883
C -1.441940 -2.029585 0.266628
C 1.186590 -3.047366 0.533588
C -2.747481 -1.445925 0.107563
C -1.239410 -3.378342 0.688749
C -2.932596 -0.132568 -0.303481
C 0.063934 -3.871993 0.818347
C -1.780407 0.741161 -0.596526
C -4.294531 0.385973 -0.445049
H 3.157760 1.422750 0.522119
H 4.480393 0.783980 1.526348
H 6.171553 1.939435 0.015264
H 4.837379 2.592203 -0.961281
H 5.381272 -0.487697 -0.465545
H 4.087553 0.185843 -1.487866
H 3.952442 3.818222 1.068912
H 5.289839 3.174622 2.042088
H 3.586908 -2.163158 -0.733138
H 3.612887 -1.606239 0.987883
H 5.807762 5.527448 1.274911
H 6.964165 4.379246 0.540294
H 5.613321 5.030303 -0.430147
H 2.192861 -3.460521 0.644195
H -3.635373 -2.053371 0.315591
H -2.107724 -4.008975 0.905893
H 0.231570 -4.903969 1.142213
H -6.628587 2.339021 -1.044867


