%chk=000100001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100001

0 1
 O  -0.7507000       3.377600     -0.5252000    
 O   -2.846600       3.248900      0.3117000    
 O   0.4430000      0.1744000       1.993100    
 N  -0.1957000      0.8536000     -0.1305000    
 N   -2.491100      -1.659400      0.7708000    
 N   -2.087700      -3.280800     -0.6922000    
 C   -1.551900       1.208100      0.2058000    
 C   -2.559000      0.4017000     -0.6256000    
 C   -2.396600      -1.089600     -0.4436000    
 C   -1.792200       2.698300      1.2100000E-02
 C   0.7007000      0.3590000      0.8064000    
 C   -2.151300      -2.070100      -1.335300    
 C    2.068900      6.6299997E-02  0.3068000    
 C   -2.296000      -2.998300      0.5746000    
 C    2.818000     -0.9005000      0.9447000    
 C    2.546200      0.7701000     -0.7794000    
 C    4.102600      -1.175700      0.4755000    
 C    3.830500      0.4947000      -1.248600    
 C    4.608700     -0.4781000     -0.6210000    
 H   -1.708500       1.019300       1.274700    
 H   -2.443900      0.6460000      -1.690200    
 H   -3.585200      0.6800000     -0.3534000    
 H   7.2999999E-02  0.9598000      -1.102700    
 H   -2.672200      -1.204000       1.656100    
 H   -2.013500      -1.995800      -2.404000    
 H   -2.318700      -3.707400       1.389900    
 H    2.435900      -1.455900       1.795900    
 H    1.988400       1.558800      -1.273100    
 H    4.708200      -1.933800      0.9634000    
 H    4.228500       1.043400      -2.097400    
 H  -0.9518000       4.331500     -0.6339000    
 H    5.609400     -0.6912000     -0.9854000    


%chk=000100001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100001

0 1
O -0.833617 3.247081 -1.012944
O -2.724116 3.340824 0.338920
O 0.208880 -0.414178 1.698542
N -0.137761 0.831117 -0.228623
N -2.012336 -1.743443 0.653812
N -3.068587 -3.351778 -0.544139
C -1.513301 1.199863 0.119447
C -2.632124 0.404931 -0.636955
C -2.621022 -1.088316 -0.426985
C -1.770077 2.688933 -0.125748
C 0.680169 0.131565 0.637655
C -3.268966 -2.100405 -1.147874
C 2.130589 0.024730 0.273506
C -2.298928 -3.097442 0.535294
C 2.879736 -1.029141 0.856729
C 2.775944 0.941892 -0.598507
C 4.248178 -1.180590 0.554252
C 4.147200 0.790676 -0.896255
C 4.884250 -0.273863 -0.326600
H -1.631726 1.019829 1.204324
H -2.556760 0.616663 -1.720787
H -3.595612 0.833685 -0.295975
H 0.242110 1.211800 -1.096538
H -1.338649 -1.310178 1.313362
H -3.868773 -2.004467 -2.051059
H -1.929049 -3.843949 1.233775
H 2.369538 -1.710652 1.544680
H 2.233431 1.798949 -1.016564
H 4.818717 -2.000713 1.002742
H 4.642557 1.505499 -1.561967
H -1.058567 4.202109 -1.178661
H 5.948070 -0.390133 -0.560860


