%chk=000017146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017146

0 1
 O    1.753100     -0.3046000      6.0500000E-02
 O    1.291800      -2.435500      0.7989000    
 N    5.330800      0.5870000      0.1582000    
 N   -4.464800     -4.0600002E-02 -0.7497000    
 N   -6.451900      0.9053000      0.2336000    
 C    3.905000      0.7484000     -8.3899997E-02
 C    5.864600     -0.5356000     -0.6172000    
 C    6.054800       1.817500     -0.1704000    
 C    3.149300     -0.5143000      0.2983000    
 C    7.337900     -0.7569000     -0.3199000    
 C    5.519100       2.997800      0.6221000    
 C   0.9134000      -1.345100      0.3506000    
 C  -0.4726000      -1.009300      6.5700002E-02
 C   -1.478900      -1.947100      0.2971000    
 C  -0.7960000      0.2512000     -0.4368000    
 C   -3.125500     -0.3655000     -0.4752000    
 C   -2.808600      -1.624400      2.5900001E-02
 C   -2.125600      0.5738000     -0.7079000    
 C   -5.131900      0.4920000      0.2259000    
 C   -7.215000       1.015900      -1.001600    
 C   -7.049000       1.490300       1.425800    
 H    3.472500       1.550500      0.5243000    
 H    3.691100       1.006500      -1.130000    
 H    5.716100     -0.3994000      -1.695600    
 H    5.389700      -1.477800     -0.3317000    
 H    6.010800       2.044400      -1.243100    
 H    7.110200       1.729500      0.1075000    
 H    3.430300      -1.372500     -0.3172000    
 H    3.302700     -0.7538000       1.357400    
 H    7.977700     -4.6000001E-03 -0.7913000    
 H    7.538000     -0.7710000      0.7571000    
 H    7.652100      -1.727000     -0.7219000    
 H    4.559600       3.359200      0.2392000    
 H    5.414300       2.760700       1.686400    
 H    6.218900       3.837800      0.5442000    
 H   -1.248700      -2.934700      0.6883000    
 H  -4.6100002E-02   1.012700     -0.6321000    
 H   -3.586300      -2.361200      0.2082000    
 H   -2.369200       1.557600      -1.100000    
 H   -4.654300      0.6517000       1.211200    
 H   -6.936800       1.931300      -1.533500    
 H   -7.025400      0.1594000      -1.657000    
 H   -8.292400       1.043600     -0.8080000    
 H   -8.133100       1.337100       1.443900    
 H   -6.642000       1.034000       2.334500    
 H   -6.848200       2.565800       1.456900    


%chk=000017146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017146

0 1
O 1.780276 -0.186733 0.197767
O 1.435270 -2.405554 0.832497
N 5.411184 0.657160 -0.180165
N -4.668019 -0.311666 -0.098838
N -6.583594 1.072309 -0.023991
C 3.937485 0.809858 -0.271210
C 5.974615 -0.142935 -1.302457
C 6.126909 1.940618 0.044174
C 3.243667 -0.399238 0.368139
C 7.293993 -0.848959 -0.936279
C 5.974082 2.467652 1.483691
C 0.961736 -1.293800 0.479672
C -0.478897 -0.984511 0.313145
C -1.423973 -2.024197 0.537464
C -0.945042 0.301214 -0.070435
C -3.278360 -0.487375 0.038799
C -2.797932 -1.783308 0.394880
C -2.321606 0.547425 -0.209893
C -5.253326 0.818747 0.230770
C -7.415853 0.093740 -0.738032
C -7.236297 2.291431 0.464117
H 3.628398 1.720651 0.270976
H 3.584024 0.926086 -1.323100
H 6.121343 0.487634 -2.216312
H 5.228858 -0.913175 -1.574098
H 5.797975 2.725339 -0.684199
H 7.200082 1.763695 -0.151131
H 3.528670 -1.353810 -0.109170
H 3.478517 -0.468128 1.444713
H 8.092138 -0.128590 -0.680700
H 7.140338 -1.509187 -0.065257
H 7.654123 -1.458472 -1.786123
H 4.918499 2.675771 1.737034
H 6.354731 1.721453 2.202509
H 6.540572 3.408880 1.613507
H -1.051256 -3.013606 0.822739
H -0.215621 1.093342 -0.262856
H -3.532438 -2.577498 0.560475
H -2.667469 1.532427 -0.545724
H -4.740476 1.641014 0.766080
H -7.825381 0.533910 -1.667725
H -6.784480 -0.772689 -0.987145
H -8.260136 -0.237323 -0.102624
H -8.034711 2.051294 1.194269
H -6.498180 2.943978 0.960220
H -7.692940 2.855229 -0.372474


