%chk=000060618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060618

0 1
 O  -0.4622000       1.902300      0.1425000    
 O   -4.162100       3.588200     -0.6661000    
 O   -1.963600       4.153800     -0.8307000    
 N   -2.563300      -1.151700      0.2778000    
 C   -1.770600       1.274800      0.2086000    
 C   0.8362000     -9.1300003E-02 -0.4845000    
 C   -1.588500     -0.2090000      0.1022000    
 C  -0.4173000     -0.8593000     -0.2251000    
 C   0.4414000       1.361000     -0.8372000    
 C   -2.353500       1.667200       1.569000    
 C  -0.6867000      -2.254800     -0.2486000    
 C   -2.654800       1.817800     -0.9178000    
 C    1.759700     -0.1215000      0.7357000    
 C   -2.039300      -2.410300      7.2600000E-02
 C   -1.429100       1.263600       2.699500    
 C    3.173600      0.2270000      0.3650000    
 C   8.3700001E-02  -3.405400     -0.5110000    
 C   -2.657300      -3.664000      0.1440000    
 C   -2.841600       3.304500     -0.8049000    
 C  -0.5225000      -4.664800     -0.4423000    
 C   -1.872100      -4.789800     -0.1194000    
 C    4.052800     -0.7811000     -1.0600000E-02
 C    3.585800       1.553300      0.4012000    
 C    5.365200     -0.4578000     -0.3550000    
 C    4.898200       1.876500      5.6699999E-02
 C    5.787900      0.8708000     -0.3214000    
 H    1.343800     -0.5305000      -1.353300    
 H  -3.5399999E-02   1.397100      -1.824100    
 H    1.304400       2.025600     -0.9018000    
 H   -3.341000       1.215600       1.723100    
 H   -2.480500       2.753200       1.647700    
 H   -2.234200       1.625000      -1.911200    
 H   -3.635400       1.324100     -0.9042000    
 H    1.761700      -1.120400       1.193800    
 H    1.404700      0.5478000       1.529600    
 H   -3.526400     -0.9593000      0.5167000    
 H   -1.263200      0.1833000       2.743300    
 H   -1.875300       1.555400       3.656800    
 H  -0.4578000       1.763600       2.637200    
 H    1.137100      -3.323500     -0.7633000    
 H   -3.708300      -3.763100      0.3943000    
 H   6.7800000E-02  -5.554900     -0.6432000    
 H   -2.322700      -5.777800     -7.1800001E-02
 H    3.733400      -1.819000     -4.3000001E-02
 H    2.911100       2.345500      0.7124000    
 H   -4.322500       4.552800     -0.5881000    
 H    6.057800      -1.240700     -0.6500000    
 H    5.228900       2.910500      8.7200001E-02
 H    6.810000       1.122500     -0.5887000    


%chk=000060618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060618

0 1
O -0.451210 1.864381 0.168092
O -3.551602 3.934701 -0.383821
O -1.854771 3.870856 -1.966733
N -2.665296 -1.185984 0.335305
C -1.796058 1.249854 0.229446
C 0.824797 -0.184624 -0.506644
C -1.636893 -0.251680 0.123908
C -0.463190 -0.920104 -0.218827
C 0.459043 1.280798 -0.846096
C -2.391233 1.701814 1.589430
C -0.761740 -2.340220 -0.206105
C -2.675578 1.759698 -0.983191
C 1.826094 -0.286178 0.696696
C -2.153795 -2.478457 0.144991
C -1.597282 1.201546 2.811778
C 3.216981 0.232678 0.366639
C 0.000217 -3.510268 -0.464437
C -2.786001 -3.735891 0.245477
C -2.614518 3.257630 -1.188130
C -0.625811 -4.768467 -0.366400
C -2.003274 -4.880513 -0.013969
C 4.124189 -0.565641 -0.380013
C 3.634716 1.528641 0.766749
C 5.407891 -0.085112 -0.719859
C 4.918869 2.015229 0.429310
C 5.809957 1.210348 -0.316826
H 1.321176 -0.622241 -1.397990
H -0.004134 1.341800 -1.851176
H 1.341643 1.939379 -0.822322
H -3.444012 1.356042 1.644871
H -2.428666 2.805459 1.589106
H -2.315127 1.283751 -1.909791
H -3.723015 1.454004 -0.815674
H 1.879255 -1.347917 1.004085
H 1.390688 0.275629 1.543589
H -3.614067 -0.965185 0.629771
H -1.545064 0.098036 2.840769
H -2.071882 1.548473 3.747566
H -0.566198 1.591857 2.781799
H 1.058613 -3.438302 -0.740235
H -3.844660 -3.828642 0.513016
H -0.049837 -5.679356 -0.563944
H -2.461387 -5.873494 0.054360
H 3.824154 -1.576237 -0.687200
H 2.949743 2.155763 1.351159
H -3.459253 4.914372 -0.539327
H 6.095647 -0.718487 -1.292064
H 5.223584 3.018113 0.749810
H 6.806299 1.584945 -0.577349


