%chk=000057072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057072

0 1
 O   -1.646000       2.012700      0.4830000    
 O   -1.021200      -2.064300       1.064600    
 N    2.672800     -0.1856000      0.1508000    
 C    5.154800     -0.1931000      8.3499998E-02
 C    3.873600      -1.029900      0.2394000    
 C    5.128100      0.5930000      -1.231900    
 C    2.609500      0.5141000      -1.139500    
 C    1.466700     -0.9874000      0.3572000    
 C    3.838600       1.399000      -1.346400    
 C   0.2191000     -0.1055000      0.3745000    
 C   0.3354000      0.9758000       1.449700    
 C    6.394900      -1.082100      0.1555000    
 C   -1.040100     -0.9344000      0.5851000    
 C  -0.9733000       1.713400       1.706300    
 C   -2.336600     -0.3328000      0.1674000    
 C   -2.550200       1.052800      0.1042000    
 C   -3.361700      -1.208000     -0.2183000    
 C   -3.760300       1.545200     -0.3978000    
 C   -4.574900     -0.7066000     -0.6913000    
 C   -4.771100      0.6684000     -0.7889000    
 C   -5.657800      -1.644700      -1.107100    
 H    5.205600      0.5236000      0.9148000    
 H    3.846600      -1.821900     -0.5214000    
 H    3.900700      -1.523200       1.219400    
 H    5.201100     -9.5799997E-02  -2.083100    
 H    5.991000       1.266700      -1.290000    
 H    1.759800       1.198500      -1.202400    
 H    2.522500     -0.1989000      -1.969900    
 H    1.367200      -1.760100     -0.4175000    
 H    1.542800      -1.517700       1.316100    
 H    3.843300       2.204400     -0.6007000    
 H    3.790100       1.876500      -2.331700    
 H   7.9999998E-02  0.3492000     -0.6129000    
 H    1.079300       1.717000       1.132900    
 H   0.6914000      0.5576000       2.399300    
 H    6.433000      -1.618400       1.109500    
 H    6.401200      -1.823800     -0.6504000    
 H    7.307400     -0.4825000      7.1199998E-02
 H   -1.621200       1.159000       2.399200    
 H  -0.7555000       2.667200       2.200700    
 H   -3.213200      -2.284900     -0.1763000    
 H   -3.928800       2.617000     -0.4698000    
 H   -5.707400       1.070700      -1.166300    
 H   -5.646100      -2.554300     -0.4969000    
 H   -6.646300      -1.189300     -0.9835000    
 H   -5.530100      -1.923900      -2.157600    


%chk=000057072-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057072

0 1
O -1.723905 2.053448 0.612459
O -0.980983 -2.155223 0.878239
N 2.674041 -0.183827 -0.077342
C 5.172331 -0.143091 0.165557
C 3.886187 -1.000643 0.186752
C 5.283339 0.589852 -1.193933
C 2.753054 0.473534 -1.406444
C 1.428617 -0.967771 0.106881
C 3.993966 1.384238 -1.499430
C 0.179507 -0.075895 0.297616
C 0.385969 0.954146 1.445375
C 6.416883 -1.006754 0.456353
C -1.072181 -0.939352 0.528762
C -0.913448 1.683563 1.809901
C -2.404916 -0.322761 0.216717
C -2.640109 1.083608 0.166280
C -3.466401 -1.197807 -0.156316
C -3.871939 1.579518 -0.322769
C -4.705179 -0.722963 -0.628229
C -4.881215 0.687992 -0.726104
C -5.817404 -1.673108 -1.036856
H 5.066707 0.623026 0.961561
H 3.995683 -1.825568 -0.569159
H 3.771794 -1.478611 1.178171
H 5.454531 -0.161917 -1.993944
H 6.162627 1.263047 -1.192678
H 1.838575 1.073334 -1.566539
H 2.793377 -0.292974 -2.226825
H 1.246279 -1.670056 -0.745254
H 1.541529 -1.598367 1.007066
H 3.884289 2.209959 -0.769792
H 4.044125 1.834184 -2.509850
H -0.014561 0.515616 -0.619599
H 1.173630 1.657084 1.126220
H 0.765385 0.432861 2.346591
H 6.344987 -1.502594 1.442781
H 6.539387 -1.795889 -0.310837
H 7.335575 -0.391042 0.453849
H -1.549504 1.060857 2.469732
H -0.710875 2.647675 2.305231
H -3.268492 -2.273688 -0.087567
H -4.020669 2.663298 -0.350881
H -5.831230 1.087820 -1.101974
H -5.520177 -2.725635 -0.893574
H -6.734129 -1.498594 -0.442475
H -6.090353 -1.541827 -2.101024


