%chk=000019125.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019125

0 1
 O  -0.5150000       1.388100      4.2500000E-02
 O   0.9328000       2.006500       1.733100    
 N   -3.265200      0.8287000     -0.3429000    
 C    3.005700      0.4321000      0.7739000    
 C    3.493600       1.168200      -1.270000    
 C    1.604300      0.3880000      7.4699998E-02
 C    3.637900       1.687500      0.1547000    
 C    1.983000      0.8625000      -1.364500    
 C    3.948000     -0.6577000      0.2163000    
 C    4.260600     -0.1606000      -1.200200    
 C   0.9665000     -0.9602000      8.6900003E-02
 C   0.6608000       1.357500      0.7321000    
 C   0.1594000      -1.359500     -0.9783000    
 C    1.177500      -1.821900       1.163400    
 C   -1.510300       2.275100      0.5629000    
 C  -0.4369000      -2.620500     -0.9671000    
 C   0.5812000      -3.082900       1.174500    
 C   -2.748600       2.189100     -0.3149000    
 C  -0.2261000      -3.482100      0.1092000    
 C   -4.434600      0.6933000      -1.210900    
 C   -3.714400      0.3749000      0.9730000    
 C   -5.015300     -0.6492000     -0.7923000    
 C   -4.545000     -0.8569000      0.6440000    
 H    2.976700      0.4520000       1.866900    
 H    3.852300       1.837000      -2.054900    
 H    3.078300       2.610000      0.3344000    
 H    4.680600       1.836900      0.4560000    
 H    1.449900       1.782400      -1.634900    
 H    1.825200      0.1410000      -2.170800    
 H    3.556100      -1.675400      0.2059000    
 H    4.873600     -0.6829000      0.8051000    
 H    3.939000     -0.8723000      -1.967200    
 H    5.338300      1.2000001E-03  -1.315000    
 H  -6.7699999E-02 -0.7061000      -1.815200    
 H    1.777000      -1.534200       2.021900    
 H   -1.723700       2.034800       1.610300    
 H   -1.120400       3.299500      0.5228000    
 H   -1.075000      -2.927300      -1.790800    
 H   0.7395000      -3.751500       2.015600    
 H   -3.501700       2.904900      3.7000000E-02
 H   -2.468900       2.476100      -1.336300    
 H  -0.6940000      -4.462100      0.1199000    
 H   -5.170000       1.487700      -1.029600    
 H   -4.165100      0.7025000      -2.271700    
 H   -2.887700      0.1070000       1.638300    
 H   -4.343100       1.123200       1.472400    
 H   -4.629900      -1.455100      -1.428200    
 H   -6.107400     -0.6556000     -0.8667000    
 H   -5.387300     -0.9691000       1.334100    
 H   -3.935400      -1.766200      0.7060000    


%chk=000019125-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019125

0 1
O -0.388365 1.585447 0.142757
O 0.855577 1.547035 2.105737
N -3.254210 1.009647 -0.406021
C 3.126475 0.472148 0.649785
C 3.282825 1.212459 -1.504024
C 1.662965 0.276473 0.114919
C 3.528866 1.786988 -0.079713
C 1.810862 0.711085 -1.403089
C 4.085767 -0.558003 -0.024599
C 4.223354 -0.027400 -1.500356
C 1.037168 -1.119095 0.330976
C 0.716952 1.211347 0.905571
C -0.046589 -1.548712 -0.479468
C 1.461626 -1.959278 1.392906
C -1.489450 2.276523 0.865079
C -0.660449 -2.801306 -0.259816
C 0.848785 -3.213219 1.613492
C -2.702060 2.328768 -0.063153
C -0.210836 -3.644260 0.782945
C -4.376445 1.062903 -1.376696
C -3.755483 0.190408 0.726774
C -4.940705 -0.381099 -1.369529
C -4.532449 -0.957778 0.029516
H 3.180641 0.501916 1.748634
H 3.452049 1.904640 -2.345633
H 2.881442 2.645430 0.173706
H 4.581730 2.069806 0.098352
H 1.088745 1.501486 -1.662177
H 1.631255 -0.142881 -2.079617
H 3.695175 -1.588384 0.013763
H 5.061497 -0.553915 0.494750
H 3.916157 -0.778456 -2.250329
H 5.265010 0.266137 -1.727108
H -0.436220 -0.885806 -1.259085
H 2.268075 -1.631870 2.057247
H -1.690607 1.732722 1.805162
H -1.156520 3.298203 1.126437
H -1.493574 -3.115192 -0.899872
H 1.196642 -3.849930 2.435021
H -3.465121 2.983340 0.443891
H -2.413364 2.838487 -1.001822
H -0.685697 -4.617369 0.952477
H -5.169424 1.786344 -1.048682
H -4.016767 1.385538 -2.370507
H -2.921719 -0.184406 1.344673
H -4.442013 0.781542 1.388837
H -4.484956 -0.977425 -2.178211
H -6.033815 -0.385455 -1.524131
H -5.406102 -1.269892 0.627834
H -3.877599 -1.837293 -0.092205


