%chk=000053490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053490

0 1
 O    2.650500     -0.3643000      -1.777600    
 O    5.348900     -0.2929000      -2.447900    
 O   0.1411000       3.430600      0.6313000    
 O   -2.022800       4.079600      0.2409000    
 N   -2.558200     -0.1344000     -8.2199998E-02
 N    4.576200      -1.175300       1.064200    
 C   -1.288400     -0.3936000     -0.5468000    
 C  -0.5724000      0.8032000     -0.4751000    
 C   -2.669300       1.181400      0.2793000    
 C   -1.456400       1.788100      4.7800001E-02
 C   0.7725000      0.8152000     -0.8957000    
 C  -0.7247000      -1.583800      -1.020200    
 C    4.932600     -3.0999999E-02  -1.104700    
 C   -3.587700      -1.078200      7.8999996E-03
 C    1.349600     -0.3679000      -1.371400    
 C    5.020200      -1.338300     -0.3136000    
 C    3.525900      0.5623000      -1.138600    
 C   -3.925600       1.752900      0.8169000    
 C   0.6107000      -1.547700      -1.431800    
 C    4.616100      -2.444500       1.777700    
 C   -1.174800       3.173400      0.3032000    
 C   -3.425400      -2.213300      0.8023000    
 C   -4.777300     -0.8822000     -0.6937000    
 C    3.392900      -3.287200       1.427300    
 C    4.688500      -2.181300       3.278500    
 C   -4.452600      -3.152500      0.8949000    
 C   -5.804500      -1.821300     -0.6009000    
 C   -5.642100      -2.956400      0.1934000    
 C   0.4913000       4.793200      0.8986000    
 C    1.965300       4.866200       1.236200    
 H    1.320200       1.751000     -0.8805000    
 H    5.627300      0.7059000     -0.6856000    
 H   -1.287900      -2.508400      -1.083400    
 H    6.060600      -1.688300     -0.3413000    
 H    4.435600      -2.103500     -0.8372000    
 H    3.534700       1.481000      -1.737300    
 H    3.216800      0.8021000     -0.1140000    
 H   -4.573500       2.095000      3.7000000E-03
 H   -4.480500       1.040000       1.435100    
 H   -3.724500       2.611700       1.465500    
 H    1.073800      -2.458500      -1.804300    
 H    5.522000      -3.006100       1.514200    
 H    5.181200     -0.4944000       1.523100    
 H   -2.511500      -2.378900       1.367600    
 H   -4.919400     -1.3400000E-02  -1.331700    
 H    3.381700      -4.209700       2.018700    
 H    3.379900      -3.582500      0.3739000    
 H    2.462100      -2.748300       1.639100    
 H    3.815200      -1.620700       3.630800    
 H    5.586000      -1.608300       3.537200    
 H    4.727600      -3.123900       3.835300    
 H    4.706900     -0.9075000      -2.843000    
 H   -4.327300      -4.035000       1.515400    
 H   -6.729500      -1.670800      -1.149900    
 H   -6.441800      -3.687700      0.2653000    
 H  -0.1019000       5.162100       1.742400    
 H   0.2828000       5.402300      1.2300000E-02
 H    2.268600       5.896000       1.444600    
 H    2.191300       4.246700       2.110400    
 H    2.569300       4.479400      0.4087000    


%chk=000053490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053490

0 1
O 2.480067 -0.929486 -1.284881
O 4.799743 -0.828329 -2.788462
O 0.133752 3.135842 0.811602
O -2.034473 3.810473 1.343773
N -2.957730 -0.166023 -0.204911
N 5.527681 -1.017525 0.915242
C -1.623746 -0.529744 -0.529360
C -0.775481 0.570820 -0.189725
C -2.967033 1.129434 0.332572
C -1.637083 1.612848 0.357084
C 0.619666 0.478351 -0.429030
C -1.125674 -1.711628 -1.117227
C 4.809364 -0.385731 -1.385784
C -4.099478 -1.025516 -0.380491
C 1.116735 -0.709645 -1.003487
C 5.280245 -1.527645 -0.451623
C 3.434198 0.158677 -0.981339
C -4.226897 1.783255 0.817826
C 0.257925 -1.794035 -1.349804
C 5.449622 -2.009369 2.025524
C -1.260647 2.926613 0.876903
C -4.121663 -2.292271 0.253380
C -5.184477 -0.618671 -1.193896
C 3.977679 -2.364514 2.332104
C 6.137777 -1.409657 3.268951
C -5.230044 -3.147740 0.072177
C -6.295036 -1.474965 -1.360589
C -6.320706 -2.741675 -0.732034
C 0.605528 4.451840 1.329547
C 2.123194 4.470778 1.167868
H 1.261483 1.318898 -0.164950
H 5.541368 0.442774 -1.353668
H -1.786651 -2.538248 -1.393792
H 6.170635 -2.003627 -0.921349
H 4.484438 -2.292349 -0.408110
H 3.169252 1.053278 -1.578071
H 3.425798 0.390369 0.100618
H -4.789577 2.255341 -0.010496
H -4.899865 1.053323 1.301476
H -3.966151 2.586058 1.523414
H 0.700341 -2.686485 -1.802412
H 5.986004 -2.953602 1.754791
H 6.409050 -0.487200 0.960244
H -3.283814 -2.589718 0.892424
H -5.147971 0.351020 -1.700561
H 3.922319 -3.145770 3.113005
H 3.451239 -2.741982 1.437262
H 3.439519 -1.466610 2.686149
H 5.651516 -0.455980 3.546048
H 7.211206 -1.212502 3.081619
H 6.065207 -2.100258 4.127520
H 3.966266 -1.354235 -2.914158
H -5.245403 -4.125315 0.566003
H -7.133185 -1.156989 -1.989960
H -7.181052 -3.405607 -0.868116
H 0.293149 4.547158 2.385425
H 0.109719 5.255039 0.754628
H 2.528183 5.428468 1.543135
H 2.591057 3.649876 1.738798
H 2.408815 4.367416 0.106473


