%chk=000130231.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130231

0 1
 O    2.484300       2.568000      -1.601700    
 O    2.128700       4.032400      0.2802000    
 N  -0.2203000      -1.750600      0.6725000    
 N    2.868800      -3.491200     -0.5018000    
 C   -2.047600     -0.1273000       1.190500    
 C  -0.9776000     -0.6064000      0.1691000    
 C   -1.345200      0.9114000       2.096900    
 C  -0.1015000      0.6142000      6.9899999E-02
 C   -3.254000      0.4977000      0.4744000    
 C  -0.3125000       1.475900       1.168800    
 C   -3.979700     -0.5280000     -0.3944000    
 C   0.8307000      0.9112000     -0.9150000    
 C   0.9331000      -2.026700     -0.1873000    
 C   0.4074000       2.651600       1.319800    
 C   -1.075400      -2.936000      0.7678000    
 C    1.530000       2.091900     -0.7539000    
 C    1.325900       2.932700      0.3266000    
 C   -5.199000      8.9500003E-02  -1.078900    
 C    1.730300      -3.205000      0.3642000    
 C   -5.944900     -0.9351000      -1.918800    
 C    2.856000       3.795100     -0.9419000    
 C    3.619500      -4.643600     -1.0000000E-03
 C    3.742900      -2.321800     -0.6062000    
 H   -2.447800     -0.9145000       1.835700    
 H   -1.382800     -0.8242000     -0.8221000    
 H   -2.031000       1.678600       2.468200    
 H  -0.8475000      0.4207000       2.940400    
 H   -3.951900      0.8937000       1.223100    
 H   -2.944000       1.348200     -0.1452000    
 H   -3.334100     -0.9369000      -1.175300    
 H   -4.300700      -1.371600      0.2291000    
 H   0.9881000      0.2787000      -1.779900    
 H   0.6398000      -2.202200      -1.230300    
 H    1.610000      -1.179700     -0.1290000    
 H   0.2577000       3.310300       2.166000    
 H   -1.288900      -3.368000     -0.2175000    
 H   -2.041500      -2.749100       1.241900    
 H  -0.6202000      -3.702700       1.403000    
 H   -4.884700      0.9212000      -1.720300    
 H   -5.881600      0.5000000     -0.3257000    
 H    2.051100      -3.003600       1.395600    
 H    1.118700      -4.112600      0.3782000    
 H   -6.300100      -1.765700      -1.300500    
 H   -5.300900      -1.342300      -2.704800    
 H   -6.813500     -0.4724000      -2.397600    
 H    2.672800       4.630800      -1.626900    
 H    3.926800       3.758200     -0.7110000    
 H    2.977900      -5.530400      5.0500002E-02
 H    4.039000      -4.462500      0.9954000    
 H    4.441100      -4.893900     -0.6814000    
 H    3.310400      -1.542500      -1.241500    
 H    3.999800      -1.898300      0.3717000    
 H    4.682700      -2.592400      -1.103700    


%chk=000130231-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130231

0 1
O 2.341130 2.769269 -1.975886
O 2.184086 4.074986 0.036314
N -0.266282 -1.929234 0.374317
N 3.258297 -3.315162 -0.088005
C -2.011409 -0.236087 1.063133
C -0.980330 -0.667621 -0.045888
C -1.183673 0.709821 1.992828
C -0.075837 0.560581 -0.136632
C -3.250062 0.479600 0.464053
C -0.182159 1.343688 1.041210
C -4.229791 -0.463886 -0.270972
C 0.746255 0.960184 -1.223337
C 1.054825 -2.140823 -0.271517
C 0.549351 2.547585 1.205835
C -1.150736 -3.102787 0.180692
C 1.457452 2.150903 -1.049631
C 1.366168 2.918773 0.132159
C -5.439851 0.278268 -0.883365
C 1.848254 -3.299652 0.374167
C -6.429674 -0.667671 -1.596716
C 2.807182 4.014684 -1.313062
C 3.877198 -4.652111 0.004797
C 4.095485 -2.284634 0.559053
H -2.355906 -1.119159 1.632031
H -1.491364 -0.840458 -1.026990
H -1.820142 1.454609 2.505977
H -0.659499 0.122441 2.771653
H -3.800017 0.986572 1.283690
H -2.914091 1.280573 -0.226858
H -3.698594 -1.011994 -1.076507
H -4.596687 -1.235217 0.439370
H 0.825856 0.377530 -2.144924
H 0.965421 -2.345432 -1.369379
H 1.637940 -1.213542 -0.162478
H 0.473412 3.163100 2.106049
H -1.318635 -3.340045 -0.901619
H -2.135580 -2.920820 0.642086
H -0.717173 -3.993589 0.665334
H -5.072771 1.040961 -1.600178
H -5.969044 0.835022 -0.082906
H 1.765028 -3.208573 1.487111
H 1.399330 -4.269581 0.090850
H -6.839349 -1.417225 -0.893207
H -5.930987 -1.217248 -2.417549
H -7.280916 -0.111668 -2.030927
H 2.469892 4.885302 -1.903015
H 3.904462 3.973754 -1.199824
H 3.277578 -5.382907 -0.566732
H 3.975784 -5.029949 1.055280
H 4.889623 -4.622781 -0.438019
H 3.656395 -1.282685 0.416518
H 4.219464 -2.451108 1.660251
H 5.099292 -2.279755 0.097267


