%chk=000178751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178751

0 1
 O   -1.867200     -0.5760000      4.9999999E-03
 O    2.417100      -1.494900     -0.9173000    
 O   -3.383900      -2.901500     -0.1049000    
 N   -5.262300      0.2324000      0.4953000    
 C    2.235200      0.5978000      0.3824000    
 C    1.487800      4.0899999E-02   1.608700    
 C    1.296100       1.374600     -0.5596000    
 C    3.417800       1.514500      0.8415000    
 C   0.1880000     -0.6804000       1.259500    
 C    0.000000      0.6335000     -0.8797000    
 C  -0.7197000      0.1768000      0.3837000    
 C    2.938700     -0.5353000     -0.3769000    
 C    4.648400      0.8479000      0.3169000    
 C    4.376700     -0.3204000     -0.3771000    
 C    5.959400       1.274800      0.4591000    
 C    5.363900      -1.102500     -0.9492000    
 C   -2.608700     -0.9993000       1.140100    
 C   -3.830900      -1.783000      0.6667000    
 C    6.980600      0.5057000     -0.1085000    
 C    6.684100     -0.6755000     -0.8080000    
 C   -4.783700     -0.9552000     -0.1990000    
 C   -6.158100       1.006300     -0.3534000    
 C   -6.619000       2.244100      0.4234000    
 C   -5.393300       1.430100      -1.611900    
 C   -7.366900      0.1445000     -0.7366000    
 H    1.245000      0.8695000       2.287600    
 H    2.133900     -0.6459000       2.170400    
 H    1.808400       1.612300      -1.500500    
 H    1.032200       2.333900     -9.4700001E-02
 H    3.475100       1.591700       1.933000    
 H    3.337200       2.524900      0.4256000    
 H   0.3942000      -1.640100      0.7708000    
 H  -0.2830000     -0.9236000       2.217100    
 H  -0.6630000       1.283400      -1.464400    
 H   0.2008000     -0.2283000      -1.527800    
 H   -1.047400       1.064700      0.9407000    
 H    6.195500       2.186200      0.9984000    
 H    5.131000      -2.013600      -1.488400    
 H   -2.026700      -1.705600       1.738000    
 H   -2.894500     -0.1438000       1.761500    
 H   -4.363600      -2.175400       1.541400    
 H    8.014600      0.8244000     -7.6000001E-03
 H    7.490800      -1.259900      -1.241900    
 H   -5.601100      -1.628500     -0.4784000    
 H   -4.245000     -0.7205000      -1.122500    
 H   -5.737900     -4.2599998E-02   1.354400    
 H   -4.168500      -3.420900     -0.3504000    
 H   -7.161800       1.965900       1.334500    
 H   -7.289100       2.865100     -0.1822000    
 H   -5.768100       2.869100      0.7194000    
 H   -5.246500      0.6186000      -2.332300    
 H   -4.415100       1.862100      -1.367900    
 H   -5.953900       2.204800      -2.150100    
 H   -7.135900     -0.6324000      -1.472800    
 H   -8.144100      0.7684000      -1.195600    
 H   -7.821300     -0.3317000      0.1404000    


%chk=000178751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178751

0 1
O -2.043556 -1.022813 0.519748
O 2.256488 -1.746890 -0.602287
O -3.878389 -3.366484 0.792846
N -5.395669 0.063078 0.360733
C 2.095481 0.411994 0.686700
C 1.449734 -0.205380 1.960941
C 0.989954 1.159773 -0.139837
C 3.263272 1.396454 1.035128
C 0.181794 -1.047846 1.679603
C -0.255546 0.291847 -0.423064
C -0.862396 -0.227515 0.889644
C 2.765416 -0.651666 -0.233085
C 4.391361 1.055454 0.072893
C 4.105430 -0.140549 -0.630132
C 5.608534 1.729392 -0.157678
C 5.015233 -0.696888 -1.557921
C -2.930867 -1.314769 1.648103
C -4.213163 -1.972168 1.132551
C 6.522256 1.184638 -1.092351
C 6.232181 -0.021129 -1.787307
C -4.831195 -1.228295 -0.074352
C -5.611980 1.137734 -0.661053
C -6.334156 2.294839 0.071374
C -4.239447 1.638188 -1.177341
C -6.483462 0.653006 -1.859362
H 1.189207 0.633675 2.641757
H 2.197043 -0.824942 2.494463
H 1.420461 1.537204 -1.088034
H 0.687171 2.050538 0.450394
H 3.596767 1.241821 2.080837
H 2.950829 2.454277 0.953812
H 0.443408 -1.939909 1.083823
H -0.240376 -1.392540 2.642984
H -1.012775 0.886204 -0.967941
H 0.006565 -0.576969 -1.053706
H -1.194807 0.640591 1.513770
H 5.850036 2.656896 0.374150
H 4.763378 -1.626899 -2.078622
H -2.448962 -2.008957 2.366747
H -3.203363 -0.370635 2.167682
H -4.948158 -1.967087 1.972003
H 7.471171 1.699000 -1.283988
H 6.958885 -0.420701 -2.503064
H -5.585212 -1.904781 -0.555955
H -4.025395 -1.054745 -0.804944
H -6.245606 -0.069512 0.927750
H -4.586707 -3.731666 0.203395
H -7.316780 1.965967 0.464144
H -6.512343 3.141420 -0.615292
H -5.723038 2.649172 0.920390
H -3.693015 0.849428 -1.724304
H -3.612740 1.956995 -0.326236
H -4.378045 2.493507 -1.864084
H -6.004127 -0.197987 -2.377160
H -6.625355 1.461489 -2.600813
H -7.483127 0.327236 -1.512548


