%chk=000050652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050652

1 1
 O   0.7619000      -1.372800      0.8121000    
 O   0.4790000      -1.650600      -1.468700    
 N    5.066100      0.5592000     -0.1172000    
 N   -4.545000      0.2375000      0.1370000    
 N  -0.4567000       1.144500      0.6011000    
 N  -0.5028000      -3.151900      1.1700000E-02
 N   -1.045600       1.014000     -0.4970000    
 C    3.674900      0.7029000      6.4700000E-02
 C    2.889900     -0.4138000      0.3521000    
 C    1.533900     -0.2424000      0.5244000    
 C   0.9232000      0.9874000      0.4240000    
 C    3.084000       1.961800     -4.3099999E-02
 C    1.708100       2.104100      0.1364000    
 C    5.966500       1.643100      0.2221000    
 C    5.614800     -0.6794000     -0.6327000    
 C   -2.430800       1.171400     -0.3197000    
 C   -3.225500      7.6300003E-02 -3.2099999E-02
 C   0.2631000      -2.028100     -0.3175000    
 C   -3.013500       2.425600     -0.4290000    
 C   -5.139800       1.434200      3.8300000E-02
 C   -4.386500       2.563700     -0.2483000    
 C   -5.364400     -0.9327000      0.4393000    
 C   -1.104900      -3.960500      -1.038700    
 C  -0.7499000      -3.593300       1.380600    
 H    3.320300      -1.405200      0.4550000    
 H    3.664500       2.849500     -0.2775000    
 H    1.256800       3.089100      4.8200000E-02
 H    5.685600       2.116200       1.169900    
 H    5.976800       2.401000     -0.5682000    
 H    6.993500       1.280800      0.3436000    
 H    5.677800      -1.434600      0.1576000    
 H    6.626400     -0.5294000      -1.026500    
 H    5.011400      -1.072800      -1.458700    
 H   -2.831200     -0.9276000      7.1500003E-02
 H   -6.210900       1.476700      0.1951000    
 H   -2.410800       3.301200     -0.6540000    
 H   -4.859000       3.536800     -0.3287000    
 H   -4.918700      -1.821000     -1.7000001E-02
 H   -5.403100      -1.037700       1.526700    
 H   -6.368700     -0.7932000      2.9899999E-02
 H  -0.7209000      -4.981700     -0.9611000    
 H  -0.8748000      -3.568300      -2.032500    
 H   -2.190000      -3.964600     -0.9007000    
 H  -0.3627000      -4.610000       1.494700    
 H   -1.829700      -3.592700       1.556800    
 H  -0.2726000      -2.949600       2.121700    


%chk=000050652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050652

1 1
O 0.961217 -1.557102 0.175965
O -0.022721 -1.224522 -1.950989
N 5.298914 0.520684 0.073602
N -4.835913 0.292817 0.649835
N -0.283814 1.300879 0.120317
N -0.673106 -3.010444 -0.558891
N -1.184613 0.335155 0.322162
C 3.929793 0.666882 0.058856
C 3.064193 -0.480932 0.096774
C 1.677890 -0.351101 0.086377
C 1.050665 0.956992 0.055738
C 3.316794 1.971731 -0.014033
C 1.935421 2.089855 -0.018834
C 6.179953 1.704772 -0.018950
C 5.912833 -0.821235 0.162058
C -2.499940 0.833197 0.261727
C -3.514053 -0.059325 0.693481
C 0.032946 -1.881628 -0.887379
C -2.906218 2.115257 -0.236555
C -5.237116 1.525903 0.177158
C -4.271432 2.444721 -0.270515
C -5.880978 -0.660037 1.133213
C -1.525053 -3.626461 -1.592396
C -0.519416 -3.742044 0.710659
H 3.466719 -1.495708 0.111504
H 3.931101 2.872819 -0.061005
H 1.460057 3.074754 -0.060165
H 6.028766 2.385329 0.839475
H 5.998960 2.266513 -0.953891
H 7.229539 1.378335 -0.015223
H 5.570142 -1.356890 1.066244
H 7.005662 -0.718644 0.220725
H 5.671473 -1.434143 -0.726844
H -3.253150 -1.050035 1.070669
H -6.309423 1.727485 0.167610
H -2.134779 2.804900 -0.587989
H -4.608239 3.412866 -0.649555
H -5.413778 -1.621528 1.388114
H -6.371888 -0.246688 2.028754
H -6.628264 -0.820548 0.340350
H -1.150441 -4.634257 -1.853322
H -1.512115 -2.995658 -2.493386
H -2.565431 -3.723836 -1.228518
H 0.126692 -4.632247 0.583207
H -1.512035 -4.085205 1.056621
H -0.075816 -3.088528 1.472846


