%chk=000178288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178288

0 1
 O   -2.281300     -0.5546000      -2.943900    
 O  -0.1867000       3.665900      0.2258000    
 O   -3.999600      -1.211600       3.053800    
 O   -2.615400      0.4819000       3.241300    
 N   0.3214000       1.571500     -0.6343000    
 N    2.044800       3.095700      2.4800001E-02
 N   -3.205500     -0.3820000       2.548400    
 C    3.672200      -2.926300      0.2404000    
 C    2.791700      -1.744500      1.0500000E-02
 C  -0.9102000       1.434000      -1.418900    
 C    1.174300      0.4268000     -0.4116000    
 C   -1.859100      0.4447000     -0.8065000    
 C    2.730400     -0.7252000      0.9608000    
 C    2.029700      -1.658500      -1.154700    
 C    1.907000      0.3800000      0.7459000    
 C    1.206400     -0.5532000      -1.369500    
 C    5.161000      -2.542200      0.3330000    
 C    3.262000      -3.732200       1.487400    
 C   0.6670000       2.831600     -9.8399997E-02
 C   -2.498300     -0.5019000      -1.599800    
 C   -2.088000      0.4899000      0.5647000    
 C   -2.966700     -0.4223000       1.149200    
 C   -3.376900      -1.414000      -1.015300    
 C   -3.611200      -1.374200      0.3593000    
 C    2.576800       3.981800       1.050800    
 C    3.035800       2.498500     -0.8688000    
 C   -2.981700      -1.559400      -3.674400    
 H    3.579800      -3.609100     -0.6153000    
 H  -0.6324000       1.195600      -2.450800    
 H   -1.421100       2.403500      -1.473300    
 H    3.303800     -0.7790000       1.882100    
 H    2.069900      -2.441200      -1.907600    
 H    1.831300       1.114200       1.540800    
 H   0.6499000     -0.5110000      -2.297900    
 H    5.369300      -1.918200       1.208800    
 H    5.785000      -3.439500      0.4069000    
 H    5.475200      -1.986300     -0.5574000    
 H    2.209600      -4.031400       1.428400    
 H    3.865900      -4.642200       1.571900    
 H    3.395900      -3.156700       2.409700    
 H   -1.593200       1.246200       1.168100    
 H   -3.912300      -2.180500      -1.564900    
 H   -4.301800      -2.100100      0.7812000    
 H    3.038000       4.847200      0.5669000    
 H    3.325400       3.440900       1.636500    
 H    1.778600       4.322300       1.715700    
 H    2.594600       2.008300      -1.738600    
 H    3.717400       1.844300     -0.3206000    
 H    3.641500       3.320500      -1.269200    
 H   -2.690200      -1.455400      -4.724700    
 H   -2.685400      -2.566500      -3.361500    
 H   -4.065800      -1.409800      -3.629800    


%chk=000178288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178288

0 1
O -2.110548 -0.652376 -2.844640
O -0.355136 3.480542 0.389920
O -4.125699 -0.887677 3.217699
O -2.664328 0.861710 3.315715
N 0.466790 1.594703 -0.750837
N 1.953956 3.279077 0.101508
N -3.276641 -0.075805 2.670687
C 3.668585 -3.215129 0.119850
C 2.833699 -1.952378 -0.104844
C -0.834366 1.449566 -1.459772
C 1.270442 0.423453 -0.538555
C -1.803437 0.496436 -0.768134
C 2.758836 -0.928210 0.875767
C 2.094123 -1.763012 -1.297159
C 1.989162 0.232843 0.674022
C 1.324715 -0.600221 -1.520002
C 5.177353 -2.882559 0.272799
C 3.159521 -4.029495 1.339587
C 0.647877 2.822222 -0.044669
C -2.441583 -0.558210 -1.488102
C -2.092424 0.649732 0.599931
C -2.991681 -0.237011 1.232161
C -3.348400 -1.440130 -0.842869
C -3.625830 -1.280562 0.524647
C 2.201202 4.402483 1.021231
C 3.091341 2.854715 -0.729035
C -2.724959 -1.724918 -3.637247
H 3.556190 -3.853849 -0.779925
H -0.660681 1.122182 -2.497189
H -1.280617 2.458244 -1.489508
H 3.295770 -1.044179 1.825206
H 2.120320 -2.539122 -2.072657
H 1.930371 0.991094 1.461827
H 0.762614 -0.500581 -2.454161
H 5.354382 -2.249674 1.162528
H 5.770955 -3.807900 0.393945
H 5.558303 -2.338252 -0.610182
H 2.094260 -4.298433 1.224085
H 3.743849 -4.961088 1.457494
H 3.260098 -3.448026 2.275034
H -1.627844 1.463856 1.165307
H -3.835039 -2.247988 -1.395345
H -4.316892 -1.943675 1.051146
H 2.438192 5.328858 0.461717
H 3.051011 4.166071 1.689515
H 1.294635 4.581677 1.617559
H 2.735781 2.308774 -1.615398
H 3.788686 2.196131 -0.175842
H 3.644400 3.752427 -1.065137
H -2.314984 -1.600743 -4.649813
H -2.451914 -2.720942 -3.240563
H -3.825614 -1.618351 -3.663903


