%chk=000017499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017499

0 1
 O    2.776300     -3.0400001E-02  0.7716000    
 O   -3.517800       1.534500      8.9800000E-02
 O    3.087100      0.3803000      -1.511900    
 N   -2.654500     -0.6439000     -0.1703000    
 C   -1.288400     -0.4893000      6.7199998E-02
 C    1.443700     -0.1806000      0.5392000    
 C  -0.7718000      0.7692000      0.3750000    
 C  -0.4391000      -1.593500     -4.6999999E-03
 C   0.5942000      0.9236000      0.6109000    
 C   0.9270000      -1.439200      0.2314000    
 C   -3.653700      0.3382000     -0.1452000    
 C   -5.011900     -0.2379000     -0.4581000    
 C    3.530000      0.2614000     -0.3772000    
 C    4.978900      0.4076000     -1.7800000E-02
 H   -1.365700       1.669500      0.4491000    
 H  -0.8279000      -2.580100     -0.2436000    
 H   0.9914000       1.906200      0.8514000    
 H    1.583000      -2.303700      0.1748000    
 H   -2.952600      -1.592500     -0.3884000    
 H   -5.010400     -0.6602000      -1.466900    
 H   -5.769900      0.5484000     -0.4027000    
 H   -5.259200      -1.019800      0.2654000    
 H    5.101200       1.226000      0.6958000    
 H    5.554500      0.6400000     -0.9182000    
 H    5.350800     -0.5297000      0.4031000    


%chk=000017499-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017499

0 1
O 2.804158 0.472406 0.215146
O -3.722361 1.421880 0.511346
O 3.811504 -1.531307 -0.510288
N -2.753057 -0.588239 -0.221609
C -1.361153 -0.304841 -0.106804
C 1.428041 0.108115 0.068825
C -0.857601 0.940477 0.359643
C -0.449477 -1.326723 -0.479991
C 0.533356 1.134274 0.442910
C 0.944463 -1.137040 -0.398377
C -3.839552 0.238673 0.075139
C -5.207571 -0.395447 -0.170761
C 3.901356 -0.362203 -0.081358
C 5.180464 0.393025 0.205165
H -1.555852 1.727833 0.646757
H -0.828100 -2.291435 -0.842144
H 0.940744 2.085068 0.799552
H 1.633111 -1.930335 -0.688266
H -2.979534 -1.523367 -0.566881
H -5.752906 0.207822 -0.917086
H -5.790506 -0.359526 0.765447
H -5.164295 -1.441044 -0.522818
H 5.228269 1.307249 -0.411501
H 6.044282 -0.250370 -0.014602
H 5.207419 0.709152 1.262256


