%chk=000091434.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091434

0 1
 O   0.8916000      0.6117000      0.2571000    
 O  -0.3663000      -1.327200     -6.2100001E-02
 O    4.178700      -1.069400      -1.541800    
 O    4.486800       1.291900      9.6799999E-02
 O    2.023600      -2.781000     -0.4899000    
 O   0.9224000       3.015200       1.590600    
 N   -2.530100      -2.860900       2.051300    
 C    3.322400     -0.7477000     -0.4447000    
 C    3.234100      0.7752000     -0.3445000    
 C    1.944400      -1.367900     -0.6757000    
 C    2.139500       1.192100      0.6407000    
 C   0.9130000     -0.8129000      0.3066000    
 C    1.952900       2.705800      0.6702000    
 C   -1.383700     -0.8490000      0.8039000    
 C   -2.377500     -3.9600000E-02  3.8000001E-03
 C   -2.025700      -1.973200       1.499600    
 C   -2.625800     -0.3822000      -1.315100    
 C   -3.020600       1.030100      0.6047000    
 C   -3.542400      0.3660000      -2.054200    
 C   -3.938200       1.777300     -0.1339000    
 C   -4.199000       1.445500      -1.463400    
 H    3.792300      -1.174100      0.4502000    
 H    3.038200       1.195100      -1.338800    
 H    1.621300      -1.201800      -1.710300    
 H    2.378900      0.8600000       1.660100    
 H    1.136100      -1.151000       1.328400    
 H    1.652400       3.091600     -0.3096000    
 H    2.864400       3.220300      0.9875000    
 H    5.039800     -0.6503000      -1.371500    
 H    4.665700      0.9306000      0.9817000    
 H    2.310100      -2.949500      0.4240000    
 H  -0.9617000     -0.1972000       1.582400    
 H   0.1195000       2.548400       1.301600    
 H   -2.136800      -1.225600      -1.793500    
 H   -2.825500       1.297600       1.639200    
 H   -3.747500      0.1060000      -3.088600    
 H   -4.449500       2.617800      0.3262000    
 H   -4.913600       2.027200      -2.038200    


%chk=000091434-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091434

0 1
O 1.360564 1.063611 0.532122
O -0.411831 -0.119338 -0.453310
O 4.079238 -1.271344 -1.622694
O 5.106779 0.485935 0.503316
O 1.389722 -2.207456 -1.268637
O 2.109839 2.869951 2.661874
N -1.565030 -1.308777 2.632959
C 3.267892 -0.826823 -0.487630
C 3.711059 0.554898 0.021825
C 1.810308 -0.839596 -0.983128
C 2.730981 1.056811 1.103592
C 0.890486 -0.282864 0.113366
C 2.989203 2.496953 1.554803
C -1.475486 0.303875 0.491065
C -2.791637 0.292163 -0.277446
C -1.524287 -0.598655 1.674862
C -3.102009 -0.796573 -1.127799
C -3.707555 1.358680 -0.127804
C -4.329388 -0.813372 -1.823821
C -4.938933 1.335587 -0.821058
C -5.251662 0.249156 -1.669466
H 3.356392 -1.558360 0.351586
H 3.755915 1.270946 -0.817225
H 1.729655 -0.191694 -1.880360
H 2.754359 0.381012 1.991230
H 0.876231 -0.954853 1.002504
H 2.859162 3.174596 0.684843
H 4.017150 2.595925 1.937617
H 5.033803 -1.127457 -1.392771
H 5.136107 -0.052447 1.337782
H 2.050471 -2.589959 -1.902664
H -1.250347 1.324472 0.856738
H 1.175615 2.727737 2.361287
H -2.375185 -1.605523 -1.253850
H -3.464144 2.205817 0.525228
H -4.567448 -1.652930 -2.485918
H -5.646787 2.163067 -0.703087
H -6.205002 0.231730 -2.209129


