%chk=000039231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039231

0 1
 O   8.7499999E-02 -0.9259000     -0.9781000    
 O   0.7277000      -2.222700      0.8197000    
 N  -0.2682000       3.994600      -1.156000    
 C   0.3340000      0.2608000     -0.2085000    
 C  -7.0000002E-03   1.494800      -1.140100    
 C  -0.5919000      0.2113000       1.049100    
 C    1.809000      0.3024000      0.2255000    
 C   0.2060000       2.841100     -0.3940000    
 C   0.7997000       1.491500      -2.453900    
 C   -2.081200      0.1671000      0.7647000    
 C    2.119100      0.8985000       1.421900    
 C    2.747500     -0.2583000     -0.6038000    
 C   0.3292000      -2.102100     -0.3306000    
 C   -2.780700       1.354700      0.6578000    
 C   -2.701700      -1.059700      0.6202000    
 C    3.456800      0.9364000       1.815300    
 C    4.085300     -0.2204000     -0.2104000    
 C   2.2399999E-02  -3.244400      -1.270400    
 C    4.439900      0.3770000      0.9992000    
 C   -4.150400       1.314000      0.3968000    
 C   -4.071400      -1.100400      0.3591000    
 C   -4.795700      8.6499996E-02  0.2475000    
 C   0.2843000      -4.596800     -0.6309000    
 H   -1.055900       1.410200      -1.450100    
 H  -0.4680000       1.100400       1.675800    
 H  -0.3650000     -0.5967000       1.751100    
 H    1.275100       3.002500     -0.2184000    
 H  -0.2763000       2.868800      0.5819000    
 H   0.7437000      0.5219000      -2.958200    
 H   0.3946000       2.232300      -3.152400    
 H    1.852000       1.744700      -2.294500    
 H    1.412200       1.375600       2.085700    
 H    2.502300     -0.7193000      -1.554600    
 H  -0.1408000       4.841100     -0.6031000    
 H   -1.270600       3.905600      -1.317200    
 H   -2.314100       2.321500      0.7968000    
 H   -2.160500      -1.993300      0.7255000    
 H    3.734800       1.407600       2.753600    
 H    4.851300     -0.6534000     -0.8471000    
 H   0.6507000      -3.137900      -2.161000    
 H   -1.030500      -3.179300      -1.564200    
 H    5.481700      0.4084000       1.304400    
 H   -4.715900       2.237800      0.3164000    
 H   -4.575100      -2.056300      0.2480000    
 H   -5.862600      5.4699998E-02  4.6900000E-02
 H    1.332500      -4.692300     -0.3289000    
 H   5.5700000E-02  -5.402400      -1.335300    
 H  -0.3351000      -4.735700      0.2614000    


%chk=000039231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039231

0 1
O 0.115106 -0.882690 -0.896368
O 0.578751 -2.431155 0.808670
N -0.373868 3.934791 -1.324876
C 0.380900 0.353804 -0.055158
C 0.059831 1.504940 -1.078033
C -0.598702 0.345332 1.173035
C 1.856972 0.363874 0.385512
C 0.280027 2.921704 -0.474111
C 0.824473 1.391164 -2.415102
C -2.078110 0.190210 0.849351
C 2.274612 1.059894 1.549369
C 2.851207 -0.267424 -0.406868
C 0.249980 -2.168688 -0.370367
C -2.898722 1.322637 0.601252
C -2.685904 -1.092673 0.831742
C 3.638498 1.117831 1.912462
C 4.213230 -0.214907 -0.044744
C -0.073488 -3.189763 -1.454481
C 4.616592 0.480511 1.117834
C -4.275881 1.179948 0.320457
C -4.062201 -1.241485 0.549524
C -4.862612 -0.105943 0.286248
C 0.047988 -4.643151 -0.964579
H -1.021588 1.396845 -1.301224
H -0.455269 1.296084 1.715331
H -0.268444 -0.467464 1.840768
H 1.364371 3.138757 -0.452974
H -0.070226 2.950657 0.585322
H 0.579343 0.454719 -2.942252
H 0.538890 2.250011 -3.046302
H 1.917526 1.432423 -2.258718
H 1.541004 1.556212 2.192289
H 2.552806 -0.811958 -1.308416
H -0.086216 4.899863 -1.144053
H -1.391820 3.834372 -1.390452
H -2.458843 2.326912 0.651906
H -2.078483 -1.974705 1.065233
H 3.933894 1.656697 2.819898
H 4.959253 -0.718346 -0.669951
H 0.599150 -2.999387 -2.313216
H -1.094384 -2.972638 -1.823813
H 5.674044 0.520689 1.401766
H -4.891627 2.068165 0.137740
H -4.512110 -2.240942 0.545785
H -5.931008 -0.220074 0.071121
H 1.069475 -4.856557 -0.606206
H -0.191312 -5.344767 -1.783202
H -0.640706 -4.837831 -0.124548


