%chk=000128711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128711

0 1
 O    2.535900      -1.518100      0.5891000    
 N   -2.723400      0.2598000      0.7222000    
 N   -4.522100       1.288200     -0.4905000    
 C   -2.320400      0.8968000      -1.602600    
 C   -1.111800      -1.500200      0.3062000    
 C  -0.3576000      0.6761000       1.035300    
 C   -1.393400     -0.1895000      0.6872000    
 C   -2.204500      -2.446900     -7.0100002E-02
 C  -0.6343000       2.084900       1.448300    
 C   -3.238700      0.7964000     -0.3495000    
 C   0.2092000      -1.946900      0.2733000    
 C   0.9634000      0.2296000       1.002400    
 C   -3.050900       1.547600      -2.793000    
 C   -1.878200     -0.5144000      -2.021000    
 C   -1.092100       1.755800      -1.262500    
 C    1.246900      -1.082100      0.6213000    
 C   -1.828900      -3.914600      0.2029000    
 C   -3.537300      -2.108900      0.6223000    
 C   -2.028000       2.247400       2.081800    
 C   0.4419000       2.639200       2.399300    
 C    3.481500     -0.6892000      8.9999996E-03
 C    3.191100     -7.5599998E-02  -1.196000    
 C    4.692100     -0.4969000      0.6498000    
 C    4.143900      0.7587000      -1.780500    
 C    5.644900      0.3376000      6.5200001E-02
 C    5.370700      0.9652000      -1.150000    
 H   -2.377600      -2.545100      -1.132900    
 H  -0.5188000       2.820700      0.6645000    
 H   0.4843000      -2.948600     -3.7300002E-02
 H    1.788600      0.8776000       1.272700    
 H   -2.402800       1.617900      -3.675200    
 H   -3.929900      0.9663000      -3.095600    
 H   -3.374800       2.568900      -2.560100    
 H   -1.665000     -0.4311000      -3.104300    
 H  -0.8897000     -0.8723000      -1.766700    
 H   -2.750400      -1.159100      -2.092200    
 H   -1.418100       2.686300     -0.8048000    
 H  -0.7634000       2.172700      -2.234000    
 H  -0.1431000       1.285100      -1.044800    
 H   -1.045300      -4.279900     -0.4698000    
 H   -2.689300      -4.574100      3.5900000E-02
 H   -1.502000      -4.063000       1.238700    
 H   -3.432500      -1.809500       1.671200    
 H   -4.156300      -3.016600      0.6635000    
 H   -4.168800      -1.430000      4.8900001E-02
 H   -2.309500       1.431800       2.757200    
 H   -2.024200       3.138900       2.725100    
 H   -2.810200       2.490700       1.362300    
 H    1.402700       2.800500       1.898300    
 H   0.1478000       3.621600       2.788900    
 H   0.5986000       1.981700       3.262300    
 H   -4.893700       1.699500      -1.336900    
 H   -5.162500       1.247300      0.2958000    
 H    2.252800     -0.2384000      -1.718200    
 H    4.906600     -0.9848000       1.595700    
 H    3.932600       1.243600      -2.729200    
 H    6.600300      0.4984000      0.5561000    
 H    6.113000       1.614000      -1.605700    


%chk=000128711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128711

0 1
O 2.538881 -1.397481 1.269982
N -2.764206 0.361514 0.362120
N -4.779208 1.127892 -0.413038
C -2.936078 1.110537 -2.112325
C -1.064386 -1.425072 0.319038
C -0.434709 0.891590 0.976298
C -1.414441 -0.040123 0.483988
C -2.150857 -2.462133 0.012433
C -0.853284 2.314586 1.365259
C -3.442079 0.834250 -0.655607
C 0.271049 -1.828064 0.547971
C 0.886965 0.447006 1.203987
C -4.051035 1.681030 -3.034132
C -2.422529 -0.216946 -2.741113
C -1.772858 2.143050 -2.067939
C 1.236142 -0.895981 0.964272
C -1.663660 -3.657333 -0.839205
C -2.776170 -2.953499 1.349931
C -1.323795 2.323745 2.847933
C 0.240458 3.382793 1.129886
C 3.686961 -0.807143 0.697146
C 3.657161 0.035331 -0.440417
C 4.916107 -1.158088 1.304435
C 4.874877 0.528029 -0.962179
C 6.122161 -0.658838 0.770315
C 6.110338 0.188869 -0.364012
H -2.957960 -1.955562 -0.547805
H -1.730662 2.589766 0.751812
H 0.574673 -2.871072 0.419686
H 1.645932 1.139780 1.581406
H -3.629507 1.853006 -4.041086
H -4.895617 0.975659 -3.154959
H -4.433975 2.655055 -2.673958
H -2.075821 -0.023518 -3.773571
H -1.578094 -0.633131 -2.168912
H -3.223482 -0.977606 -2.786065
H -2.101181 3.101480 -1.625390
H -1.421859 2.344319 -3.097588
H -0.919539 1.763338 -1.483456
H -1.193549 -3.320642 -1.781898
H -2.516291 -4.313963 -1.094379
H -0.927371 -4.277081 -0.294691
H -2.016645 -3.468593 1.967174
H -3.604944 -3.661585 1.158809
H -3.172192 -2.100672 1.929244
H -0.491406 2.048003 3.521905
H -1.684271 3.329178 3.137718
H -2.144896 1.601046 2.999751
H 0.602562 3.372704 0.084961
H -0.161763 4.390134 1.346028
H 1.112541 3.232507 1.792846
H -5.395930 1.493418 -1.129871
H -5.133395 0.955753 0.526627
H 2.703952 0.293385 -0.911075
H 4.902957 -1.815354 2.179262
H 4.853415 1.177212 -1.845152
H 7.073065 -0.931476 1.241911
H 7.048747 0.575989 -0.775013


