%chk=000040666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040666

0 1
 O    2.611400      -2.005200      0.4325000    
 N    5.150300      0.5545000      0.6072000    
 C   -3.506200     -0.3055000     -0.1913000    
 C   -3.947100      0.9790000     -0.9149000    
 C   -4.211200     -0.4405000       1.169900    
 C    3.100400      7.9999998E-02 -0.8035000    
 C   -5.467000       1.047700      -1.054200    
 C   -5.730000     -0.3660000       1.021800    
 C   -6.163300      0.9044000      0.2959000    
 C    2.261200     -0.6202000      0.3251000    
 C   -1.996500     -0.3874000     -5.6699999E-02
 C    4.635200     -8.3400004E-02 -0.6009000    
 C   0.7515000     -0.5380000      0.1896000    
 C    2.796000       1.593600     -0.8838000    
 C    2.706000     -0.5240000      -2.175700    
 C   -1.296800      -1.423900     -0.6743000    
 C   -1.309200      0.5731000      0.6854000    
 C   9.0400003E-02  -1.500000     -0.5499000    
 C   7.8199998E-02  0.4972000      0.8097000    
 C    4.537200     -3.2600001E-02   1.799200    
 C    4.909300       1.997300      0.5690000    
 H   -3.837700      -1.152200     -0.8097000    
 H   -3.489400       1.025300      -1.910900    
 H   -3.603900       1.868800     -0.3723000    
 H   -3.886300      0.3510000       1.856800    
 H   -3.939400      -1.393200       1.641100    
 H   -5.751500       1.999800      -1.516300    
 H   -5.808000      0.2517000      -1.727600    
 H   -6.086000      -1.243100      0.4674000    
 H   -6.198500     -0.4027000       2.011700    
 H   -5.932800       1.777100      0.9194000    
 H   -7.249400      0.8934000      0.1508000    
 H    2.396200     -0.1832000       1.300100    
 H    4.898600      -1.149400     -0.5887000    
 H    5.171600      0.3233000      -1.469400    
 H    3.504800       2.162700      -1.490000    
 H    1.857500       1.720000      -1.447000    
 H    2.528600       2.060900      6.1999999E-02
 H    3.326600     -9.8600000E-02  -2.973900    
 H    2.862300      -1.608100      -2.192600    
 H    1.666700     -0.3198000      -2.449700    
 H   -1.817500      -2.179500      -1.256400    
 H   -1.833600       1.388600       1.175400    
 H   0.6128000      -2.314300      -1.042600    
 H   0.5996000       1.250500       1.392700    
 H    2.077400      -2.399800       1.143400    
 H    4.365700      -1.109800       1.746500    
 H    3.726500      0.5435000       2.253000    
 H    5.314000      3.6499999E-02   2.576100    
 H    5.701900       2.424500       1.203400    
 H    4.017600       2.372500       1.070900    
 H    5.127600       2.466200     -0.3948000    


%chk=000040666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040666

0 1
O 2.652604 -1.841162 0.519281
N 4.835786 0.762543 0.873818
C -3.733976 -0.336707 -0.241893
C -4.214368 0.936979 -0.998678
C -4.476558 -0.458161 1.121537
C 2.989318 0.182157 -0.808345
C -5.750069 0.950754 -1.181581
C -6.012550 -0.444742 0.937798
C -6.481136 0.817915 0.175676
C 2.161577 -0.446076 0.361060
C -2.216059 -0.367870 -0.082279
C 4.505835 0.103646 -0.415421
C 0.646268 -0.426119 0.196673
C 2.576028 1.663751 -0.982099
C 2.791470 -0.586788 -2.136318
C -1.441186 -1.404061 -0.662889
C -1.529711 0.635208 0.652784
C -0.035819 -1.437152 -0.528464
C -0.127019 0.602180 0.794397
C 5.343515 -0.157895 1.910567
C 5.652873 1.982876 0.750953
H -4.030147 -1.214960 -0.855460
H -3.707034 0.996829 -1.980945
H -3.906120 1.836117 -0.426361
H -4.178938 0.388005 1.774660
H -4.156143 -1.384418 1.636600
H -6.060493 1.881074 -1.696082
H -6.047610 0.107359 -1.839256
H -6.320295 -1.347140 0.369295
H -6.511128 -0.504457 1.924962
H -6.268902 1.715944 0.792700
H -7.577163 0.787197 0.020305
H 2.437608 0.138546 1.265453
H 4.790304 -0.964801 -0.373517
H 5.089213 0.565021 -1.241834
H 3.177865 2.132394 -1.783973
H 1.510826 1.756417 -1.258352
H 2.744369 2.228662 -0.046558
H 3.473045 -0.188164 -2.912246
H 3.004346 -1.662101 -2.004175
H 1.757970 -0.478307 -2.510973
H -1.948660 -2.195164 -1.229784
H -2.095724 1.447219 1.125345
H 0.542579 -2.248519 -0.983570
H 0.379065 1.382736 1.376523
H 2.071808 -2.293658 1.181651
H 4.675814 -1.033212 1.979371
H 5.357128 0.353168 2.891863
H 6.380146 -0.528189 1.704667
H 6.702251 1.782911 0.412871
H 5.708052 2.496097 1.729371
H 5.190942 2.678815 0.029772


