%chk=000071988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071988

0 1
 O    1.255800      -2.050200       1.632100    
 N   -3.240300     -0.1396000      0.1406000    
 N    2.759500       1.122500       1.450100    
 N    2.105400       2.252000     -0.5082000    
 N    2.866000      0.2225000     -0.7874000    
 N    2.028500       2.075000      -1.835900    
 N    2.639000      0.1432000      -3.115500    
 C   -2.478800      0.8885000     -0.5827000    
 C   -4.660100      0.2255000      0.2443000    
 C   -2.582800       2.245300      0.1156000    
 C   -4.835300       1.560600      0.9696000    
 C   -4.036600       2.668400      0.2922000    
 C   -3.092600      -1.439900     -0.5126000    
 C   -1.654600      -1.883400     -0.5606000    
 C  -0.8627000      -1.757500      0.5720000    
 C   -1.142000      -2.412000      -1.736800    
 C   0.4694000      -2.168900      0.5276000    
 C   0.1901000      -2.823300      -1.781200    
 C   0.9959000      -2.701700     -0.6490000    
 C    2.252300     -0.5202000       3.189100    
 C   0.9581000     -0.9816000       2.529400    
 C    3.278600     -5.1000002E-03   2.186800    
 C    2.602400       1.146600      9.4800003E-02
 C    1.684800       3.501200      7.8900002E-02
 C    2.500000      0.8319000      -1.953300    
 H   -1.410700      0.6540000     -0.6396000    
 H   -2.840600      0.9834000      -1.615600    
 H   -5.122700      0.2843000     -0.7498000    
 H   -5.200700     -0.5429000      0.8101000    
 H   -2.094400       2.191700       1.097100    
 H   -2.046300       3.003400     -0.4665000    
 H   -5.896600       1.832200      0.9943000    
 H   -4.506800       1.458300       2.011800    
 H   -4.475600       2.889000     -0.6885000    
 H   -4.091600       3.588300      0.8846000    
 H   -3.517600      -1.409900      -1.525100    
 H   -3.649100      -2.205600      4.3800000E-02
 H   -1.304700      -1.384600       1.491300    
 H   -1.759000      -2.512400      -2.625100    
 H   0.6007000      -3.236900      -2.697700    
 H    2.033400      -3.021700     -0.6902000    
 H    2.020300      0.2627000       3.921100    
 H    2.699400      -1.359100       3.735900    
 H   0.4918000     -0.1252000       2.026700    
 H   0.2720000      -1.352400       3.299600    
 H    3.597900     -0.8144000       1.519200    
 H    4.174400      0.3176000       2.729700    
 H    2.510000       1.933000       2.011600    
 H    1.339400       4.176900     -0.7080000    
 H    2.537600       3.944400      0.5988000    
 H   0.8675000       3.297600      0.7752000    
 H    3.000800     -0.8048000      -3.141900    
 H    2.383700      0.5407000      -4.013800    


%chk=000071988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071988

0 1
O 1.358015 -2.097770 1.589555
N -3.152398 -0.216666 -0.272455
N 3.029699 1.365883 1.788408
N 2.262018 2.762549 -0.074083
N 2.068647 0.530764 -0.278209
N 1.644847 2.564806 -1.355533
N 1.062703 0.493389 -2.467563
C -2.464059 0.849177 -1.046797
C -4.573342 0.125447 -0.018163
C -2.511294 2.194724 -0.296886
C -4.689784 1.448871 0.765753
C -3.970149 2.596158 0.018790
C -2.991614 -1.554801 -0.885226
C -1.571676 -2.107725 -0.771755
C -0.791021 -1.810768 0.371429
C -1.047303 -2.954937 -1.776543
C 0.507680 -2.354044 0.504860
C 0.244986 -3.517219 -1.622572
C 1.026918 -3.222018 -0.488645
C 2.295952 -0.597807 3.229570
C 1.011535 -0.979537 2.486146
C 3.370222 0.025635 2.302449
C 2.472498 1.541563 0.535741
C 2.509658 4.113931 0.403030
C 1.583382 1.199394 -1.402912
H -1.416924 0.544955 -1.216999
H -2.944281 0.972992 -2.055409
H -5.146971 0.221627 -0.979696
H -5.034857 -0.699745 0.557591
H -1.939730 2.093386 0.646649
H -2.008422 2.969784 -0.905730
H -5.758939 1.692171 0.920998
H -4.227952 1.310886 1.762999
H -4.505445 2.807502 -0.930715
H -3.999586 3.526220 0.618262
H -3.299701 -1.566207 -1.963084
H -3.684538 -2.241571 -0.356628
H -1.223953 -1.139328 1.119400
H -1.645212 -3.181297 -2.667835
H 0.648226 -4.180722 -2.396429
H 2.036151 -3.625721 -0.363866
H 2.042137 0.107504 4.046463
H 2.719698 -1.506577 3.700010
H 0.638070 -0.127724 1.887232
H 0.221131 -1.305766 3.192996
H 3.511915 -0.634514 1.430752
H 4.331642 0.092941 2.847042
H 3.146360 2.172691 2.398428
H 2.668694 4.762848 -0.471868
H 3.423085 4.139658 1.025600
H 1.659575 4.517422 0.987215
H 0.982167 -0.517253 -2.389894
H 0.734039 0.982240 -3.292980


