%chk=000116852.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116852

0 1
 O    6.002800      -2.411600      0.2619000    
 O   -7.103300     -0.4424000      0.8176000    
 N    5.065000     -0.3492000     -0.2505000    
 N   -5.047300     -0.3928000     -0.2622000    
 N    7.145500     -0.5522000      0.8552000    
 N   -6.115100      -2.417800      0.3308000    
 C    2.533500       1.077300     -0.2994000    
 C   -2.511000       1.025000     -0.3142000    
 C    1.264000       1.572000      0.3893000    
 C   -1.254800       1.544100      0.3810000    
 C   1.4100000E-02   1.020800     -0.2914000    
 C    3.783800       1.668000      0.3688000    
 C    2.601000     -0.4565000     -0.2852000    
 C   -2.581400     -0.5075000     -0.2439000    
 C   -3.773300       1.641500      0.3057000    
 C    5.065000       1.120900     -0.2605000    
 C    3.903200     -0.9558000     -0.9063000    
 C   -3.872700      -1.036800     -0.8678000    
 C   -5.036000       1.070800     -0.3350000    
 C    6.058900      -1.177700      0.2834000    
 C   -6.141800      -1.040000      0.3230000    
 H    2.516900       1.412700      -1.345600    
 H   -2.473900       1.321400      -1.371700    
 H    1.267800       1.279400       1.446900    
 H    1.240000       2.668600      0.3635000    
 H   -1.259700       1.255000       1.439500    
 H   -1.251200       2.641000      0.3522000    
 H   2.1299999E-02 -6.7000002E-02 -0.2146000    
 H   1.4400000E-02   1.287100      -1.354800    
 H    3.778900       1.426100       1.439600    
 H    3.774300       2.761100      0.2848000    
 H    1.783200     -0.9015000     -0.8597000    
 H    2.523300     -0.8255000      0.7454000    
 H   -2.523400     -0.8359000      0.8017000    
 H   -1.749400     -0.9718000     -0.7817000    
 H   -3.761300       2.730600      0.1825000    
 H   -3.792500       1.437900       1.384200    
 H    5.138000       1.435500      -1.308500    
 H    5.922400       1.545100      0.2607000    
 H    3.943700      -2.047900     -0.8456000    
 H    3.950300     -0.6871000      -1.968600    
 H   -3.898300     -0.8089000      -1.940200    
 H   -3.892000      -2.121800     -0.7716000    
 H   -5.918600       1.495600      0.1531000    
 H   -5.086400       1.346100      -1.395300    
 H    7.892200      -1.108300       1.259800    
 H    7.283200      0.4485000      0.8964000    
 H   -6.883500      -2.934600      0.7467000    
 H   -5.381300      -2.986000     -6.9799997E-02


%chk=000116852-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116852

0 1
O 6.488721 -2.219781 0.235360
O -7.417047 -0.118591 0.690171
N 5.329888 -0.235021 -0.219563
N -5.279181 -0.311640 -0.249463
N 7.567054 -0.205386 0.621210
N -6.676668 -2.224573 0.068223
C 2.622365 0.938426 -0.251466
C -2.588051 0.899366 -0.259476
C 1.299103 1.379109 0.423444
C -1.272782 1.357345 0.418949
C 0.018980 0.818348 -0.237675
C 3.833242 1.665565 0.385637
C 2.859588 -0.591805 -0.178762
C -2.803275 -0.632522 -0.168990
C -3.816773 1.615005 0.357006
C 5.179461 1.230790 -0.243539
C 4.207056 -0.987799 -0.816796
C -4.146201 -1.074099 -0.802054
C -5.132961 1.158755 -0.303370
C 6.456187 -0.946554 0.207207
C -6.497206 -0.842927 0.188226
H 2.575162 1.225507 -1.326849
H -2.536408 1.175787 -1.337460
H 1.321711 1.077074 1.492251
H 1.247121 2.488634 0.415602
H -1.294843 1.057056 1.488242
H -1.241010 2.467345 0.410181
H 0.029481 -0.287355 -0.183150
H 0.018395 1.081349 -1.316939
H 3.857341 1.443106 1.471485
H 3.722557 2.762649 0.273604
H 2.050763 -1.137937 -0.700267
H 2.848119 -0.914063 0.881879
H -2.791451 -0.932895 0.898283
H -1.983666 -1.175890 -0.677138
H -3.715996 2.712122 0.240141
H -3.861886 1.400714 1.443576
H 5.227895 1.596652 -1.293830
H 5.999489 1.713919 0.313812
H 4.424599 -2.058591 -0.677055
H 4.170505 -0.781594 -1.910007
H -4.094746 -0.928133 -1.904749
H -4.279740 -2.153017 -0.616212
H -6.012952 1.589676 0.200037
H -5.145426 1.488447 -1.366345
H 8.357889 -0.753644 0.948648
H 7.672477 0.798534 0.511848
H -7.560948 -2.580140 0.421619
H -6.057436 -2.851819 -0.435885


