%chk=000121639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121639

0 1
 O   -4.823900       3.333700     -0.8319000    
 O   -4.989100      -2.306100      0.6056000    
 O   -3.430000       3.757200      0.9611000    
 O   -4.513500      -4.468000       1.266600    
 O    8.161100      0.8306000       1.874100    
 O    8.498900     -0.4546000      0.1267000    
 N   -3.821000     -0.2008000     -0.8571000    
 N    1.656900     -0.4895000      0.2599000    
 N    2.257700      0.4434000     -0.3207000    
 N    7.736900      0.2110000      0.8689000    
 N    3.621000      -1.640800      -2.929300    
 C   -4.586800      0.9700000     -0.4771000    
 C   -4.495000      -1.300400      -1.518900    
 C   -2.441600     -0.2747000     -0.5744000    
 C   -4.042800       2.199000      -1.185200    
 C   -4.403700      -2.554500     -0.6663000    
 C   -1.919200      0.3950000      0.5319000    
 C   -1.599000      -1.016200      -1.402600    
 C  -0.5542000      0.3233000      0.8101000    
 C  -0.2341000      -1.088200      -1.124400    
 C   0.2814000     -0.4180000     -1.9500000E-02
 C   -4.402500       4.026500      0.2691000    
 C   -4.976700      -3.356100       1.481500    
 C    3.629900      0.3718000     -4.1600000E-02
 C   -5.314700       5.188800      0.5196000    
 C   -5.622200      -2.950900       2.771900    
 C    4.495700     -0.3615000     -0.8529000    
 C    4.124700       1.051400       1.071500    
 C    6.351400      0.2643000      0.5619000    
 C    5.856500     -0.4153000     -0.5511000    
 C    5.485500      0.9976000       1.373100    
 C    4.012400      -1.068400      -2.000200    
 H   -5.645500      0.8591000     -0.7455000    
 H   -4.604700       1.104700      0.6108000    
 H   -5.556300      -1.061400      -1.660600    
 H   -4.096600      -1.474300      -2.524300    
 H   -2.980300       2.389200      -1.000100    
 H   -4.138300       2.071200      -2.270200    
 H   -4.961000      -3.358100      -1.163000    
 H   -3.371200      -2.893900     -0.5346000    
 H   -2.540700      0.9659000       1.214000    
 H   -1.959400      -1.537100      -2.284000    
 H  -0.1557000      0.8440000       1.676700    
 H   0.4159000      -1.665500      -1.776400    
 H   -6.329800       4.829300      0.7060000    
 H   -5.296900       5.865400     -0.3385000    
 H   -4.971200       5.736000       1.402200    
 H   -6.663100      -2.670100       2.593000    
 H   -5.069700      -2.119500       3.216900    
 H   -5.602900      -3.794400       3.467900    
 H    3.458700       1.626500       1.709700    
 H    6.515900     -0.9928000      -1.196300    
 H    5.835500       1.539700       2.247900    


%chk=000121639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121639

0 1
O -5.592866 2.984249 0.544521
O -5.440453 -2.249827 -0.551180
O -3.811471 3.191399 2.034316
O -5.314570 -4.574222 -0.612637
O 9.205534 -0.657358 -0.343101
O 8.841401 0.761514 1.409737
N -3.574112 0.084722 -0.856882
N 1.999981 0.375695 0.081010
N 2.830492 -0.336940 -0.658402
N 8.425820 0.025144 0.431414
N 3.346866 2.107825 2.496194
C -4.513957 0.797889 0.032036
C -4.164729 -0.725884 -1.939801
C -2.195037 0.140928 -0.645545
C -4.678941 2.276530 -0.393159
C -4.366989 -2.204658 -1.583029
C -1.635002 0.982851 0.377093
C -1.289947 -0.644100 -1.447396
C -0.253260 1.023200 0.579679
C 0.088045 -0.591145 -1.242755
C 0.636971 0.244768 -0.219705
C -5.008355 3.421276 1.746349
C -5.819693 -3.539295 -0.128885
C 4.191048 -0.168165 -0.296222
C -6.002902 4.198929 2.573702
C -6.860292 -3.462432 0.964025
C 4.703502 0.640563 0.784820
C 5.110145 -0.894891 -1.106307
C 6.971737 -0.043183 0.179459
C 6.100679 0.690662 1.008613
C 6.492130 -0.842657 -0.884630
C 3.876104 1.415741 1.674451
H -5.487287 0.283284 -0.005398
H -4.157861 0.750620 1.074782
H -5.147089 -0.293208 -2.199329
H -3.539770 -0.659988 -2.848683
H -3.702554 2.790858 -0.408833
H -5.173180 2.366477 -1.373473
H -4.690917 -2.787192 -2.465413
H -3.454139 -2.668275 -1.170399
H -2.272683 1.616382 1.001305
H -1.674185 -1.306664 -2.227833
H 0.180523 1.662742 1.355349
H 0.770536 -1.191589 -1.851979
H -7.003785 3.742738 2.514602
H -6.082154 5.228904 2.180524
H -5.660825 4.247963 3.617718
H -7.489220 -2.565583 0.854949
H -6.355294 -3.409647 1.946051
H -7.480175 -4.371565 0.947900
H 4.688773 -1.499309 -1.914651
H 6.514627 1.294387 1.820681
H 7.201477 -1.396961 -1.503751


