%chk=000034781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034781

1 1
 O    4.495600       1.615400     -0.2162000    
 O   -4.645300      -2.127800     -0.5924000    
 O   -5.975600      0.2454000     -3.9299998E-02
 O    6.025100     -0.6328000      0.1707000    
 N   0.3138000       1.333400     -0.2590000    
 C  -0.3109000      0.1301000     -0.1023000    
 C  -0.4615000       2.575600     -0.5071000    
 C   -1.697700       2.594300      0.3716000    
 C   -1.786400      0.1402000     -0.1200000    
 C   -2.485700       1.340300      0.1225000    
 C   0.4715000      -1.020000      9.8099999E-02
 C    1.867800     -0.9416000      0.1213000    
 C    1.663700       1.426100     -0.2478000    
 C    2.476600      0.3099000     -5.7599999E-02
 C   -2.548900      -1.017000     -0.3602000    
 C   -3.887100       1.366100      0.1626000    
 C  -0.1352000      -2.349200      0.4455000    
 C    3.877700      0.4088000     -4.1000001E-02
 C    2.673400      -2.076200      0.3190000    
 C   -3.946600     -0.9857000     -0.3362000    
 C   -4.615100      0.2038000     -6.9300003E-02
 C    4.666000     -0.7251000      0.1544000    
 C    4.064300      -1.966900      0.3350000    
 C    4.757800       2.380300      0.9561000    
 C   -4.976800      -2.948200      0.5258000    
 C   -6.580200       1.506400      0.2421000    
 C    6.699900     -0.7855000      -1.076500    
 H  -0.7053000       2.574300      -1.576400    
 H   0.1661000       3.444800     -0.2853000    
 H   -2.291400       3.485200      0.1386000    
 H   -1.421400       2.635600       1.431800    
 H    2.065900       2.420300     -0.4070000    
 H   -2.117400      -1.946100     -0.7090000    
 H   -4.347100       2.325600      0.3743000    
 H   0.4721000      -2.925100       1.151000    
 H   -1.047200      -2.252300       1.040300    
 H  -0.2893000      -2.963800     -0.4463000    
 H    2.282600      -3.083400      0.4191000    
 H    4.671700      -2.856500      0.4789000    
 H    3.837500       2.573000       1.516500    
 H    5.185800       3.339000      0.6504000    
 H    5.481500       1.864600       1.595200    
 H   -5.533200      -3.816000      0.1613000    
 H   -5.607200      -2.400100       1.233000    
 H   -4.068500      -3.299300       1.025900    
 H   -6.354600       2.244600     -0.5351000    
 H   -6.321700       1.863300       1.244900    
 H   -7.664500       1.353600      0.2294000    
 H    6.513400      -1.780100      -1.493800    
 H    7.773500     -0.6756000     -0.9008000    
 H    6.380700     -1.4600000E-02  -1.785000    


%chk=000034781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034781

1 1
O 4.439599 1.692707 -0.436205
O -4.480328 -2.307195 -0.740842
O -6.020160 0.062547 -0.088732
O 6.186464 -0.675062 -0.016840
N 0.349150 1.261669 -0.082074
C -0.299656 0.034970 0.219293
C -0.493834 2.484614 -0.329448
C -1.676607 2.506340 0.649181
C -1.776933 0.044293 0.136748
C -2.490526 1.249775 0.405087
C 0.511981 -1.068951 0.585527
C 1.948520 -0.975659 0.473135
C 1.697983 1.384683 -0.149168
C 2.546341 0.283109 0.072815
C -2.518005 -1.110603 -0.229940
C -3.895562 1.259687 0.356375
C -0.084358 -2.338408 1.161345
C 3.973792 0.431832 -0.055972
C 2.830023 -2.067626 0.754424
C -3.925614 -1.113922 -0.291984
C -4.633799 0.098106 0.017118
C 4.796604 -0.696207 0.143539
C 4.208290 -1.922551 0.583151
C 5.519965 2.296497 0.400672
C -5.850720 -2.729050 -0.364906
C -6.781048 1.290998 0.194000
C 6.684011 -0.367855 -1.388177
H -0.860999 2.440339 -1.371401
H 0.158389 3.364746 -0.214275
H -2.276874 3.413729 0.465617
H -1.303021 2.565555 1.690605
H 2.112672 2.364606 -0.392472
H -2.027016 -2.039257 -0.527285
H -4.423158 2.196419 0.559320
H 0.522837 -2.687001 2.014214
H -1.108680 -2.180328 1.526332
H -0.112160 -3.160928 0.421702
H 2.432215 -3.034953 1.067583
H 4.889767 -2.760773 0.760567
H 5.102956 2.573444 1.385010
H 5.835664 3.193920 -0.149208
H 6.360795 1.596333 0.531978
H -5.895563 -3.784205 -0.672542
H -6.606495 -2.133979 -0.897899
H -6.003050 -2.642225 0.725159
H -6.511730 2.093654 -0.517324
H -6.617502 1.627660 1.234555
H -7.833561 1.008579 0.054307
H 6.389845 -1.179654 -2.076506
H 7.778009 -0.331838 -1.291559
H 6.293287 0.598517 -1.752902


