%chk=000102382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102382

0 1
 O   -3.261100      -1.926600      0.7165000    
 O    1.088700      -3.702800     -0.6442000    
 N   -1.208100       2.735300     -0.4470000    
 N   0.7150000      -1.405200     -0.5056000    
 N    5.351000       1.359400      0.8619000    
 C   0.5023000       1.034500     -0.4200000    
 C  -0.2578000     -0.3104000     -0.5189000    
 C  -0.2113000       2.088900      0.4549000    
 C   -1.220200     -0.6727000      0.6036000    
 C   -1.931700      0.4888000       1.273800    
 C  -0.8665000       1.504500       1.702300    
 C   0.5060000       1.759400      -1.775600    
 C    1.883200      0.5370000     -7.9700001E-02
 C  -0.8801000       2.385000      -1.834400    
 C   -2.076200      -1.759400     -5.2000001E-02
 C   -2.942200       1.088600      0.3433000    
 C   -2.626500       2.500500     -0.1054000    
 C    1.979600     -0.8620000     -0.2222000    
 C   -1.179900      -3.008500     -0.1817000    
 C   0.3264000      -2.745500     -0.5031000    
 C    2.994500       1.284600      0.2798000    
 C   -4.018600      0.3822000     -5.3700000E-02
 C   -4.336300      -1.075800      0.2579000    
 C    3.173900      -1.528600     -3.4000000E-03
 C    4.203500      0.6210000      0.4980000    
 C    4.292400     -0.7722000      0.3552000    
 H  -0.7546000     -0.3622000      -1.496700    
 H   0.5014000       2.864200      0.7624000    
 H  -0.6697000      -1.142400       1.437100    
 H   -2.443500      0.1419000       2.181700    
 H   -1.318200       2.301500       2.307200    
 H  -0.1114000       1.026700       2.339000    
 H   0.6933000       1.095400      -2.626900    
 H    1.270400       2.547700      -1.798000    
 H  -0.8897000       3.272600      -2.474600    
 H   -1.590400       1.663000      -2.255100    
 H   -2.375400      -1.500800      -1.077800    
 H   -3.269300       2.805700     -0.9410000    
 H   -2.885800       3.179800      0.7173000    
 H   -1.584400      -3.670300     -0.9561000    
 H   -1.210500      -3.571800      0.7595000    
 H    2.925900       2.363800      0.3771000    
 H   -4.738800      0.8708000     -0.7074000    
 H   -5.127300      -1.114400       1.014000    
 H   -4.740000      -1.539900     -0.6502000    
 H    3.263400      -2.604700     -9.0400003E-02
 H    5.237800      -1.281200      0.5299000    
 H    5.292400       2.362800      0.9733000    
 H    6.227600      0.8829000       1.027700    


%chk=000102382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102382

0 1
O -3.311072 -2.006729 0.721652
O 1.142928 -3.695757 -0.437702
N -1.249406 2.704078 -0.484474
N 0.736076 -1.400959 -0.590554
N 5.429306 1.336226 0.946341
C 0.537399 1.038348 -0.441397
C -0.265547 -0.291096 -0.539599
C -0.214067 2.102468 0.440594
C -1.218244 -0.669884 0.613249
C -1.957086 0.496561 1.288394
C -0.890931 1.536885 1.702438
C 0.516867 1.772120 -1.822445
C 1.928450 0.546661 -0.060930
C -0.913382 2.353872 -1.895250
C -2.092587 -1.746979 -0.057065
C -3.003258 1.089715 0.349908
C -2.682423 2.518715 -0.096978
C 2.022446 -0.861783 -0.251619
C -1.207011 -3.001748 -0.246504
C 0.319185 -2.729717 -0.453761
C 3.053672 1.287044 0.330665
C -4.066647 0.349954 -0.073966
C -4.417802 -1.090622 0.317326
C 3.243074 -1.539918 -0.062303
C 4.296948 0.617458 0.546063
C 4.370789 -0.791927 0.340041
H -0.840023 -0.283048 -1.485554
H 0.521155 2.881858 0.730101
H -0.611872 -1.148406 1.409541
H -2.457678 0.089718 2.187252
H -1.340811 2.362165 2.285095
H -0.127923 1.063101 2.348832
H 0.750111 1.092811 -2.660526
H 1.271872 2.579490 -1.816541
H -0.966747 3.239991 -2.555946
H -1.620854 1.594175 -2.303762
H -2.412376 -1.374277 -1.052643
H -3.308282 2.824699 -0.954674
H -2.916178 3.220664 0.729135
H -1.561522 -3.642708 -1.073676
H -1.258520 -3.619310 0.670474
H 2.986842 2.373492 0.470194
H -4.783391 0.800587 -0.777992
H -5.104937 -1.108765 1.185596
H -4.950585 -1.555771 -0.540644
H 3.299108 -2.619761 -0.214196
H 5.326601 -1.306784 0.497030
H 5.386514 2.339745 1.093306
H 6.315018 0.864446 1.099777


