%chk=000042512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042512

0 1
 N  -0.3384000      0.7859000       1.094000    
 N   -1.538400      0.8344000       1.849200    
 N   -3.694600      -1.243000     -0.3946000    
 C   -2.506700     -0.2106000       1.480000    
 C   -2.748400     -0.1954000     -2.6400000E-02
 C   7.1500003E-02   1.730300      0.1800000    
 C    1.297900       1.301500     -0.3321000    
 C    1.608800      6.8200000E-02  0.3062000    
 C   0.5841000     -0.2223000       1.177200    
 C   -3.905300      -1.260500      -1.842900    
 C   -4.968100      -1.054500      0.3020000    
 C   -1.315800      0.8489000       3.304000    
 C  -0.5433000       2.919200     -0.2284000    
 C    2.747700     -0.7899000      0.1463000    
 C    1.944200       2.096600      -1.299300    
 C   -2.594600      -1.455300      -2.586000    
 C   -5.941900      -2.174900     -2.1600001E-02
 C   0.1164000       3.691500      -1.188800    
 C    1.341100       3.288400      -1.717400    
 C    2.726800      -1.807500     -0.8082000    
 C    3.877100     -0.6076000      0.9452000    
 C    3.833700      -2.641900     -0.9635000    
 C    4.984000      -1.442100      0.7898000    
 C    4.962200      -2.459200     -0.1646000    
 H   -2.162200      -1.201500       1.804300    
 H   -3.418500      3.0999999E-02   2.032500    
 H   -3.104100      0.7928000     -0.3478000    
 H   -1.796300     -0.3902000     -0.5232000    
 H   0.4396000      -1.064600       1.842400    
 H   -4.536300      -2.108000      -2.129800    
 H   -4.396700     -0.3456000      -2.197300    
 H   -4.845200      -1.119500       1.385900    
 H   -5.424700     -8.3400004E-02  7.3500000E-02
 H   -2.254900       1.049500       3.831200    
 H  -0.6231000       1.653400       3.576300    
 H  -0.9086000     -9.8600000E-02   3.674000    
 H   -1.496900       3.238200      0.1788000    
 H    2.899200       1.796500      -1.721300    
 H   -1.987500     -0.5448000      -2.613300    
 H   -2.000300      -2.271500      -2.160800    
 H   -2.802900      -1.716900      -3.629900    
 H   -6.367600      -2.082400      -1.025500    
 H   -5.475200      -3.161000      7.8299999E-02
 H   -6.785700      -2.141800      0.6772000    
 H  -0.3343000       4.620700      -1.528000    
 H    1.835000       3.905500      -2.463300    
 H    1.855100      -1.963400      -1.439600    
 H    3.911000      0.1808000       1.693600    
 H    3.816900      -3.433800      -1.706600    
 H    5.863000      -1.299900       1.411600    
 H    5.824100      -3.108800     -0.2855000    


%chk=000042512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042512

0 1
N -0.367521 0.719096 1.182215
N -1.602228 0.716423 1.896815
N -3.906699 -1.078846 -0.559504
C -2.549334 -0.315314 1.382789
C -2.899672 -0.089959 -0.102067
C 0.103077 1.827381 0.462394
C 1.374403 1.460070 -0.104436
C 1.653771 0.083225 0.301548
C 0.564060 -0.327759 1.079530
C -3.683907 -1.547197 -1.953627
C -5.303322 -0.633903 -0.304832
C -1.385634 0.660159 3.366278
C -0.492800 3.090750 0.268049
C 2.834398 -0.744770 -0.014939
C 2.042929 2.408985 -0.926040
C -2.502239 -2.529061 -2.070646
C -6.293898 -1.804466 -0.152756
C 0.206650 4.015576 -0.532061
C 1.457072 3.673635 -1.128985
C 2.713921 -2.155397 -0.175544
C 4.129230 -0.167517 -0.150370
C 3.841400 -2.957215 -0.449567
C 5.256121 -0.968423 -0.434184
C 5.120876 -2.368016 -0.585228
H -2.163840 -1.353732 1.506592
H -3.462294 -0.230552 2.000925
H -3.242277 0.962526 -0.240307
H -1.981105 -0.203658 -0.704234
H 0.410123 -1.271717 1.599160
H -4.603440 -2.062671 -2.285456
H -3.532090 -0.687492 -2.653812
H -5.303801 -0.049132 0.634675
H -5.660562 0.062600 -1.105693
H -2.352808 0.836519 3.867699
H -0.687072 1.461164 3.657169
H -0.977638 -0.314724 3.718836
H -1.459805 3.325237 0.722343
H 2.991955 2.159594 -1.411255
H -1.549240 -2.064526 -1.757453
H -2.678683 -3.412106 -1.431934
H -2.380018 -2.864959 -3.117416
H -6.355687 -2.416158 -1.071306
H -5.977457 -2.465583 0.672854
H -7.310365 -1.425381 0.063883
H -0.219289 5.009907 -0.707787
H 1.967046 4.410060 -1.760213
H 1.722042 -2.618476 -0.107698
H 4.257781 0.908452 0.007749
H 3.721518 -4.040016 -0.571357
H 6.243042 -0.500648 -0.527457
H 5.996210 -2.989086 -0.805542


