%chk=000093817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093817

0 1
 O   -5.059200     -0.7531000     -0.3324000    
 O   -5.054900      0.1528000       1.783800    
 N    3.075100      0.9279000     -0.4553000    
 N   0.7529000       1.605400     -0.5468000    
 C    4.029900     -6.8700001E-02 -0.1148000    
 C  -0.5458000       1.190300     -0.2360000    
 C   -3.137600      0.3640000      0.3822000    
 C    3.664300      -1.408700     -0.1473000    
 C    5.317400      0.3088000      0.2455000    
 C    1.711500      0.7784000     -0.2460000    
 C   -1.096000       1.493200       1.009400    
 C   -1.291400      0.4742000      -1.172300    
 C   -2.391900       1.079900       1.318600    
 C   -2.587400      6.1000001E-02 -0.8633000    
 C    3.590400       2.124900      -1.124900    
 C    4.601300      -2.386900      0.1860000    
 C    6.254500     -0.6694000      0.5787000    
 C    5.896300      -2.017200      0.5489000    
 C   -4.487900     -6.8800002E-02  0.7057000    
 C   -6.393900      -1.231600     -0.1351000    
 C   -6.847600      -1.956400      -1.384300    
 H    2.677000      -1.737500     -0.4573000    
 H    5.626700       1.348300      0.2969000    
 H    1.459700     -0.1601000      0.2787000    
 H  -0.5231000       2.051400       1.745300    
 H  -0.8712000      0.2341000      -2.145600    
 H   -2.801400       1.326200       2.294700    
 H   -3.130400     -0.4942000      -1.623000    
 H    4.366000       1.876100      -1.858800    
 H    3.994500       2.832200     -0.3927000    
 H    2.801500       2.646000      -1.678900    
 H    4.325100      -3.436900      0.1556000    
 H    7.261900     -0.3819000      0.8649000    
 H    6.626200      -2.778800      0.8074000    
 H   -6.411800      -1.916900      0.7195000    
 H   -7.058300     -0.3837000      6.4599998E-02
 H   -7.866400      -2.336300      -1.268100    
 H   -6.816000      -1.287500      -2.250600    
 H   -6.180200      -2.795600      -1.606500    


%chk=000093817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093817

0 1
O -5.463564 -0.524712 -0.377108
O -4.939252 -0.505122 1.895934
N 3.165516 0.596648 -0.665190
N 0.823126 0.669594 -0.972453
C 4.306497 -0.022433 -0.062659
C -0.484859 0.389706 -0.525660
C -3.182047 -0.126982 0.244116
C 4.260286 -1.373193 0.385050
C 5.518739 0.706695 0.075570
C 1.873746 0.206307 -0.336488
C -0.844879 0.302377 0.855670
C -1.508011 0.244626 -1.508049
C -2.173689 0.043473 1.229396
C -2.834341 -0.017900 -1.130686
C 3.349765 1.699480 -1.631885
C 5.390985 -1.959037 0.990481
C 6.648197 0.104081 0.668414
C 6.592154 -1.227578 1.138687
C -4.569876 -0.396342 0.696935
C -6.882267 -0.796987 -0.006871
C -7.673521 -0.858408 -1.309830
H 3.363079 -1.980021 0.227144
H 5.576532 1.745990 -0.261350
H 1.815706 -0.520447 0.491257
H -0.084590 0.473613 1.626886
H -1.227901 0.336799 -2.561943
H -2.460663 -0.022667 2.284391
H -3.615005 -0.138289 -1.886850
H 4.185905 1.466552 -2.311681
H 3.550878 2.658834 -1.118706
H 2.412303 1.799188 -2.199903
H 5.337966 -3.000559 1.326340
H 7.572765 0.683172 0.769803
H 7.469994 -1.690567 1.600877
H -6.920613 -1.746842 0.557220
H -7.230677 0.010410 0.662763
H -8.738470 -1.059544 -1.092112
H -7.605181 0.097460 -1.856992
H -7.294931 -1.662472 -1.964118


