%chk=000027014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027014

0 1
 O    1.221500       1.204800       1.224600    
 O   -1.513700     -0.5511000      -1.834300    
 O   -3.469700       3.347000     -0.3482000    
 O   -1.729800       2.048300     -0.6723000    
 N    2.373400      -1.665100     -0.3595000    
 N    2.653100     -0.4153000      0.2264000    
 N  -0.9387000     -0.5580000      0.4406000    
 N   -2.951800       2.209700     -0.4447000    
 C   0.3755000     -0.7876000      0.2253000    
 C   0.9858000      -1.813500     -0.3807000    
 C    1.446600      0.1430000      0.6671000    
 C   -1.388700     -0.4294000       1.843100    
 C    3.888200      0.2609000      6.6600002E-02
 C   0.3467000      -3.021800     -0.9779000    
 C    3.241500      -2.793000     -3.5799999E-02
 C   -1.835500     -0.4522000     -0.6501000    
 C   -3.265800     -0.2227000     -0.3843000    
 C   -1.786900      -1.770800       2.423300    
 C    4.203300       1.353800      0.8802000    
 C    4.801000     -0.1591000     -0.9061000    
 C   -3.779300       1.062700     -0.2901000    
 C   -4.083700      -1.333400     -0.2305000    
 C    5.418900       2.019700      0.7227000    
 C    6.016600      0.5065000      -1.063400    
 C    6.325600       1.595900     -0.2490000    
 C   -5.139100       1.241800     -3.6400001E-02
 C   -5.443600      -1.154300      2.3100000E-02
 C   -5.971200      0.1333000      0.1204000    
 H  -0.5919000      4.1000000E-03   2.456500    
 H   -2.232800      0.2620000       1.906900    
 H   0.5614000      -3.072200      -2.050100    
 H  -0.7397000      -3.028100     -0.8514000    
 H   0.7246000      -3.934900     -0.5070000    
 H    4.285400      -2.511100      0.1211000    
 H    3.219000      -3.528700     -0.8467000    
 H    2.902700      -3.283100      0.8844000    
 H   -2.587400      -2.251700       1.858800    
 H  -0.9355000      -2.459900       2.432900    
 H   -2.129900      -1.648500       3.455500    
 H    3.538000       1.696500       1.666000    
 H    4.583500     -0.9783000      -1.585500    
 H   -3.685300      -2.340800     -0.3141000    
 H    5.662600       2.864300       1.360600    
 H    6.719300      0.1822000      -1.825400    
 H    7.271800       2.114700     -0.3718000    
 H   -5.589100       2.227800      4.6700001E-02
 H   -6.091900      -2.017400      0.1429000    
 H   -7.030200      0.2720000      0.3175000    


%chk=000027014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027014

0 1
O 1.498282 1.064536 1.630352
O -1.459426 -0.570702 -1.763136
O -4.010470 3.104739 -1.568390
O -2.092915 2.287958 -0.641520
N 2.339456 -1.652999 -0.513475
N 2.698181 -0.581071 0.366408
N -0.965830 -0.483964 0.536335
N -3.337234 2.183083 -0.966119
C 0.413602 -0.775563 0.337339
C 0.945778 -1.796104 -0.445367
C 1.503816 0.036326 0.886968
C -1.376996 -0.045647 1.905167
C 3.966307 0.069199 0.240919
C 0.226581 -2.907459 -1.146152
C 3.260043 -2.809652 -0.562570
C -1.822572 -0.396427 -0.557900
C -3.308154 -0.234611 -0.272675
C -1.419770 -1.210652 2.910423
C 4.514648 0.715105 1.376990
C 4.651193 0.099394 -1.001411
C -4.047069 0.931316 -0.596541
C -4.045632 -1.377026 0.127560
C 5.753486 1.380459 1.263465
C 5.899888 0.750067 -1.093383
C 6.457364 1.392698 0.036400
C -5.456384 0.975029 -0.544409
C -5.455117 -1.348990 0.203116
C -6.164433 -0.173203 -0.138481
H -0.655223 0.724349 2.230526
H -2.364762 0.435646 1.823154
H -0.150679 -2.547547 -2.121037
H -0.658835 -3.205722 -0.558384
H 0.857202 -3.798411 -1.299330
H 4.295221 -2.443849 -0.629584
H 3.046287 -3.397907 -1.468172
H 3.164071 -3.453015 0.333996
H -2.175091 -1.965989 2.625969
H -0.436265 -1.708565 2.980417
H -1.676026 -0.827929 3.914859
H 3.960970 0.709186 2.318560
H 4.189043 -0.349828 -1.886993
H -3.504163 -2.299395 0.363639
H 6.171234 1.887603 2.139956
H 6.425930 0.772600 -2.054177
H 7.422247 1.905068 -0.041121
H -5.966479 1.903263 -0.815426
H -5.999080 -2.245604 0.518589
H -7.257428 -0.150796 -0.087449


