%chk=000053073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053073

0 1
 O   0.4811000       2.892200     -2.1199999E-02
 O    3.100800       3.262100     -7.0699997E-02
 O   -4.003700       1.881400     -3.7300002E-02
 O   -4.817500     -0.7714000     -4.6399999E-02
 N    2.066800      -3.050100      7.4400000E-02
 C    1.612200     -0.6471000      1.0600000E-02
 C    1.152400      -1.988000      3.3700000E-02
 C    3.002700     -0.3808000     -1.5799999E-02
 C    3.979700      -1.526700     -7.7500001E-02
 C   0.6920000      0.4415000     -2.7999999E-03
 C    3.394900      -2.753600      0.6047000    
 C  -0.2338000      -2.208700      4.4999998E-03
 C  -0.7192000      0.1787000     -7.7999998E-03
 C   -1.164200      -1.162600     -1.0600000E-02
 C    1.233500       1.751100     -2.0700000E-02
 C    3.491000      0.9282000     -5.2700002E-02
 C    2.606700       1.991900     -4.4900000E-02
 C    1.632200      -4.438600      5.8200002E-02
 C  -0.7630000      -3.616300      0.1033000    
 C   -1.723800       1.181800     -1.7000001E-02
 C   -2.539000      -1.460100     -2.4000000E-02
 C   -3.086600      0.8738000     -2.8999999E-02
 C   -3.494900     -0.4496000     -3.3199999E-02
 C   0.6709000       3.788600       1.069200    
 C    3.316200       3.846900      -1.353100    
 C   -4.451800       2.360100       1.229200    
 C   -5.435500     -0.9247000      -1.323000    
 H    4.194900      -1.742700      -1.131300    
 H    4.922600      -1.258800      0.4131000    
 H    4.078800      -3.596900      0.4526000    
 H    3.322700      -2.594000       1.688800    
 H    4.562000       1.111800     -8.7300003E-02
 H    2.539300      -5.052200     -6.3100003E-02
 H    1.096200      -4.735800     -0.8428000    
 H    1.266200      -4.804800       1.019600    
 H  -0.6730000      -4.156000     -0.8405000    
 H  -0.4215000      -4.108400       1.011800    
 H   -1.824400      -3.724600      0.3134000    
 H   -1.513200       2.240700     -2.3800001E-02
 H   -2.970100      -2.449400     -8.4500000E-02
 H    1.181700       3.328100       1.922700    
 H  -0.3176000       4.111700       1.410800    
 H    1.208600       4.680000      0.7339000    
 H    2.383800       3.883800      -1.925200    
 H    4.074300       3.284400      -1.907200    
 H    3.676700       4.868800      -1.207000    
 H   -4.935300       1.557900       1.795700    
 H   -5.182300       3.155100       1.056000    
 H   -3.614400       2.772500       1.801100    
 H   -5.378200      7.8999996E-03  -1.893300    
 H   -6.488300      -1.174300      -1.166000    
 H   -4.962500      -1.737600      -1.883000    


%chk=000053073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053073

0 1
O 0.572698 2.872429 -0.030601
O 3.366009 3.136845 -0.262803
O -3.911921 1.980268 -0.385666
O -4.863325 -0.767915 -0.019795
N 2.056179 -3.203364 0.426792
C 1.680461 -0.747775 0.125203
C 1.145679 -2.099792 0.314616
C 3.103110 -0.551581 0.027646
C 4.044258 -1.745806 0.089271
C 0.777364 0.385013 0.046095
C 3.398868 -2.855414 0.942563
C -0.229881 -2.324310 0.426566
C -0.669821 0.134747 0.041788
C -1.149482 -1.219213 0.228003
C 1.368711 1.695328 -0.044817
C 3.624304 0.736854 -0.129720
C 2.766400 1.857930 -0.172781
C 2.059622 -4.199588 -0.667691
C -0.760829 -3.698245 0.788151
C -1.643544 1.164127 -0.157193
C -2.558035 -1.465239 0.194151
C -3.016070 0.900887 -0.166173
C -3.485626 -0.442120 -0.011283
C 0.690379 3.652107 1.224712
C 3.007317 3.918942 -1.468723
C -4.784652 2.280637 0.771462
C -5.558322 -0.472768 -1.294771
H 4.240451 -2.131969 -0.932409
H 5.021979 -1.443517 0.507877
H 4.016994 -3.771074 0.952259
H 3.295834 -2.506065 1.987380
H 4.703185 0.906061 -0.211371
H 2.616163 -3.853479 -1.569035
H 1.027727 -4.420043 -0.981009
H 2.520998 -5.140234 -0.314372
H -1.194196 -4.235555 -0.079680
H 0.056388 -4.313380 1.198599
H -1.557218 -3.623398 1.550337
H -1.316488 2.191924 -0.310438
H -2.947044 -2.481175 0.296236
H 0.337225 3.049237 2.082388
H 0.040804 4.530655 1.088396
H 1.737330 3.966849 1.382730
H 1.917573 4.088268 -1.517814
H 3.349711 3.389796 -2.378568
H 3.545583 4.873868 -1.366720
H -5.381125 1.395193 1.058533
H -5.444092 3.098002 0.440726
H -4.174392 2.614844 1.632669
H -5.446925 0.591666 -1.568335
H -6.616067 -0.720181 -1.116368
H -5.153150 -1.112077 -2.102413


