%chk=000049025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049025

0 1
 O  -0.9758000       1.297400     -0.8764000    
 O  -0.6257000       3.145500      0.4507000    
 O    4.794400     -0.1869000       1.011900    
 N   -3.870900     -0.5472000     -0.3177000    
 C   -5.289400     -0.2792000     -0.6440000    
 C   -3.684600      -1.704300      0.5842000    
 C   -6.100400     -6.1999999E-02  0.6448000    
 C   -4.488500      -1.507700       1.884400    
 C   -5.960100      -1.224800       1.617000    
 C   -3.042800     -0.6127000      -1.522200    
 C   -5.959000      -1.328200      -1.546700    
 C   -2.213600      -1.930800      0.9671000    
 C   -2.926900      0.7677000      -2.160800    
 C   -2.273100       1.767200      -1.216200    
 C  -0.2557000       2.086200     -3.1199999E-02
 C    1.075200       1.487700      0.2427000    
 C    1.427800      0.2724000     -0.3442000    
 C    1.972700       2.140600       1.087500    
 C    6.888100     -0.9049000      8.6300001E-02
 C    5.371800     -0.9884000     -1.7600000E-02
 C    3.575400      0.3630000      0.7586000    
 C    7.573600      -1.729800     -0.9993000    
 C    2.677900     -0.2899000     -8.6199999E-02
 C    3.222800       1.578300       1.345600    
 C    9.086800      -1.609100     -0.9186000    
 H   -5.365300      0.6792000      -1.169100    
 H   -4.036200      -2.621200      9.4400004E-02
 H   -5.751400      0.8559000       1.137000    
 H   -7.159800      9.6799999E-02  0.4104000    
 H   -4.407500      -2.401600       2.514900    
 H   -4.063200     -0.6754000       2.461500    
 H   -6.471000     -0.9887000       2.557200    
 H   -6.442900      -2.120200       1.208800    
 H   -3.413400      -1.344100      -2.247700    
 H   -2.021400     -0.9328000      -1.300700    
 H   -5.885500      -2.341800      -1.142800    
 H   -7.025300      -1.102200      -1.663000    
 H   -5.532100      -1.329700      -2.554000    
 H   -1.735600     -0.9998000       1.292200    
 H   -2.134700      -2.647300       1.793100    
 H   -1.633300      -2.353700      0.1415000    
 H   -3.884500       1.150800      -2.524100    
 H   -2.288500      0.6625000      -3.048100    
 H   -2.871800       1.914200     -0.3103000    
 H   -2.180600       2.731900      -1.729100    
 H   0.7569000     -0.2730000      -1.001900    
 H    1.717200       3.087900       1.554700    
 H    7.198000      0.1455000      1.7000001E-02
 H    7.205000      -1.245400       1.080000    
 H    5.082100     -0.6321000      -1.014800    
 H    5.041700      -2.025800      0.1100000    
 H    7.241000      -1.395000      -1.988900    
 H    7.289400      -2.783900     -0.9010000    
 H    2.901900      -1.250700     -0.5402000    
 H    3.918000       2.091100       2.004900    
 H    9.457500      -1.964200      4.8200000E-02
 H    9.557300      -2.209000      -1.703900    
 H    9.405200     -0.5698000      -1.048300    


%chk=000049025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049025

0 1
O -1.037163 1.421450 -0.839507
O -0.713235 3.052539 0.796232
O 5.169152 0.371653 0.475950
N -4.129918 -0.624791 -0.367212
C -5.590693 -0.474326 -0.663783
C -3.818371 -1.745770 0.576794
C -6.365232 -0.221177 0.653282
C -4.589616 -1.511408 1.903697
C -6.106922 -1.336920 1.688039
C -3.270281 -0.484511 -1.566745
C -6.211770 -1.646653 -1.483895
C -2.308962 -1.857555 0.883903
C -3.118074 0.991297 -2.017118
C -2.458796 1.870382 -0.956729
C -0.256644 2.111730 0.095616
C 1.140384 1.607196 0.147374
C 1.599742 0.546718 -0.672833
C 2.045831 2.221405 1.057218
C 7.190022 -0.870791 0.005209
C 5.714121 -0.715375 -0.365131
C 3.827456 0.725009 0.315365
C 7.883463 -1.978734 -0.821719
C 2.934477 0.101306 -0.596181
C 3.375579 1.787258 1.143439
C 9.374355 -2.137261 -0.453788
H -5.690388 0.439548 -1.281996
H -4.155003 -2.729560 0.157716
H -6.026797 0.745682 1.073824
H -7.447036 -0.132014 0.433545
H -4.393033 -2.363089 2.584131
H -4.175171 -0.599701 2.379200
H -6.604400 -1.091597 2.645919
H -6.548891 -2.292190 1.339835
H -3.636581 -1.085264 -2.434035
H -2.262690 -0.857774 -1.328662
H -6.212729 -2.596431 -0.920864
H -7.259762 -1.409366 -1.745128
H -5.663105 -1.814580 -2.428840
H -1.891749 -0.866377 1.139578
H -2.164164 -2.527787 1.750787
H -1.723218 -2.277281 0.047175
H -4.106878 1.429667 -2.255273
H -2.521834 1.024376 -2.949849
H -2.949499 1.742113 0.024154
H -2.461151 2.941217 -1.229094
H 0.902460 0.076644 -1.372134
H 1.679262 3.039850 1.685152
H 7.703517 0.096492 -0.155165
H 7.267892 -1.100959 1.084996
H 5.597445 -0.446781 -1.435828
H 5.151695 -1.651990 -0.168866
H 7.792980 -1.746254 -1.902503
H 7.359642 -2.943565 -0.663406
H 3.266328 -0.718030 -1.239765
H 4.085216 2.248730 1.836403
H 9.493099 -2.400546 0.613846
H 9.854881 -2.931065 -1.053912
H 9.927957 -1.196288 -0.630818


