%chk=000099696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099696

0 1
 O    5.224100      -2.623400      0.2547000    
 O    1.037700       2.749900      -2.370200    
 N    2.692000      -1.408100     -0.2061000    
 C   0.1644000       1.535700     -0.4177000    
 C   0.3619000       2.281100      0.9708000    
 C    1.362400      0.5807000     -0.7531000    
 C    1.547900     -0.5994000      0.2097000    
 C   -1.132400      0.6951000     -0.5297000    
 C    1.693200       3.083100       1.028500    
 C  -0.8064000       3.219200       1.338300    
 C   0.1809000       2.636700      -1.497500    
 C    3.929700     -0.6168000     -0.1733000    
 C    2.830400      -2.595000      0.6493000    
 C   -1.635300      0.1399000      0.6141000    
 C   -1.698900      0.5580000      -1.762700    
 C    1.912500       3.790900       2.361000    
 C    5.110300      -1.484700     -0.5995000    
 C    4.037300      -3.416200      0.2046000    
 C   -2.810500     -0.6245000      0.5297000    
 C   -2.867000     -0.1981000      -1.865100    
 C   -3.435400     -0.7960000     -0.7285000    
 C   -3.379300      -1.222200       1.666100    
 C   -4.610600      -1.560200     -0.8132000    
 C   -4.547200      -1.978500       1.563600    
 C   -5.161700      -2.147200      0.3262000    
 H   0.4294000       1.534700       1.770300    
 H    2.258900       1.199900     -0.8118000    
 H    1.229000      0.1735000      -1.767100    
 H    1.678100     -0.2450000       1.238400    
 H   0.6582000      -1.235900      0.1858000    
 H    2.540900       2.405200      0.8878000    
 H    1.738600       3.831000      0.2296000    
 H  -0.7647000       4.154000      0.7693000    
 H  -0.7782000       3.476000       2.402600    
 H   -1.785100       2.768100       1.158500    
 H  -0.6524000       3.360600      -1.452900    
 H    3.919900      0.2178000     -0.8772000    
 H    4.108100     -0.2216000      0.8351000    
 H    2.959800      -2.295400       1.697500    
 H    1.932500      -3.220000      0.5827000    
 H   -1.158200      0.2410000       1.581800    
 H   -1.282000      0.9838000      -2.668300    
 H    2.925200       4.206100       2.398700    
 H    1.216900       4.624000       2.497900    
 H    1.802000       3.097300       3.200300    
 H    5.015100      -1.816500      -1.640800    
 H    6.041500     -0.9148000     -0.5179000    
 H    4.177500      -4.267600      0.8784000    
 H    3.905100      -3.813700     -0.8090000    
 H   -3.328100     -0.3208000      -2.842900    
 H   -2.916500      -1.103900       2.643700    
 H   -5.108000      -1.705300      -1.769900    
 H   -4.976700      -2.435600       2.450300    
 H   -6.070900      -2.736000      0.2471000    


%chk=000099696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099696

0 1
O 5.165054 -2.946049 -0.045405
O 0.976813 3.130419 -2.189495
N 2.768373 -1.294933 -0.149683
C 0.182538 1.636141 -0.371039
C 0.331320 2.398746 1.020185
C 1.427730 0.749440 -0.711074
C 1.768809 -0.316570 0.348402
C -1.086647 0.757146 -0.442261
C 1.693710 3.136184 1.154809
C -0.845838 3.376121 1.291528
C 0.048852 2.737407 -1.443588
C 4.121106 -0.707172 -0.335442
C 2.850741 -2.492883 0.727069
C -1.765614 0.261132 0.676792
C -1.554665 0.364754 -1.746909
C 1.904972 3.785676 2.540888
C 5.080447 -1.759950 -0.914071
C 3.820350 -3.522177 0.125457
C -2.898918 -0.609051 0.550793
C -2.655436 -0.474229 -1.907001
C -3.359621 -0.987132 -0.768806
C -3.593862 -1.118516 1.698231
C -4.493668 -1.855642 -0.892442
C -4.696024 -1.963648 1.549215
C -5.150378 -2.335900 0.242992
H 0.314216 1.613444 1.804800
H 2.283460 1.417632 -0.908694
H 1.228614 0.217745 -1.660480
H 2.120359 0.168819 1.296265
H 0.850848 -0.883457 0.594983
H 2.521595 2.425475 0.976400
H 1.775298 3.912250 0.368057
H -0.725547 4.315699 0.720016
H -0.886667 3.648187 2.360444
H -1.821882 2.936630 1.024737
H -0.964300 3.208177 -1.508463
H 4.060014 0.143367 -1.037774
H 4.533589 -0.326467 0.634999
H 3.199424 -2.226787 1.758012
H 1.842794 -2.942090 0.812476
H -1.445382 0.532931 1.689062
H -1.021864 0.727271 -2.635648
H 2.923050 4.208955 2.618236
H 1.189784 4.606319 2.726284
H 1.788005 3.042779 3.353544
H 4.730710 -2.061408 -1.925109
H 6.108958 -1.367797 -0.978195
H 3.952094 -4.386823 0.796953
H 3.432925 -3.866375 -0.857792
H -2.992161 -0.755937 -2.911821
H -3.247592 -0.832889 2.699022
H -4.838473 -2.138740 -1.894209
H -5.219915 -2.346103 2.432062
H -6.016199 -2.999222 0.140691


