%chk=000095006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095006

0 1
 O   -5.647300      0.2639000      4.3800000E-02
 O  -0.8863000     -2.8000001E-02   1.350000    
 O   0.8947000       2.180000     -0.7332000    
 O    1.250100      -2.422800     -0.3399000    
 N   -2.890400     -0.2947000      0.2087000    
 N   0.6345000     -0.1633000     -0.6448000    
 C   -3.708100     -0.2005000       1.418000    
 C   -3.646200     -0.6197000      -1.005600    
 C  -0.7396000     -0.2985000      -1.000600    
 C   -4.903600      0.7112000       1.180200    
 C   -4.848600      0.3060000      -1.141700    
 C   -1.503500     -0.1954000      0.2952000    
 C    2.679500      0.7331000     -0.1495000    
 C    2.784700     -0.6450000     -3.2000002E-02
 C    1.308000       1.050900     -0.5450000    
 C    1.481900      -1.228200     -0.3508000    
 C    3.750400       1.570000      8.7800004E-02
 C    3.966500      -1.258800      0.3290000    
 C    4.958200      0.9703000      0.4557000    
 C    5.065300     -0.4305000      0.5749000    
 H   -3.117800      0.1573000       2.266800    
 H   -4.047200      -1.218300       1.644000    
 H   -3.980900      -1.657300     -0.8903000    
 H   -3.029100     -0.5636000      -1.903800    
 H   -1.031400      0.5167000      -1.668900    
 H  -0.9100000      -1.276600      -1.459200    
 H   -5.570200      0.6917000       2.047800    
 H   -4.589600       1.749600       1.020800    
 H   -4.536300       1.340100      -1.330000    
 H   -5.475100     -1.2900000E-02  -1.980600    
 H    3.668600       2.646600     -4.1999999E-03
 H    4.049200      -2.335300      0.4204000    
 H    5.828700       1.590500      0.6527000    
 H    6.016900     -0.8703000      0.8622000    


%chk=000095006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095006

0 1
O -5.714396 0.339228 0.049487
O -0.967707 0.034055 1.417594
O 0.841109 2.192958 -0.956595
O 1.139232 -2.460060 -0.327645
N -2.925636 -0.346766 0.216419
N 0.674678 -0.168536 -0.750302
C -3.759514 -0.303108 1.441363
C -3.688546 -0.626413 -1.019436
C -0.747265 -0.296460 -1.011017
C -4.922047 0.686095 1.246329
C -4.861611 0.372473 -1.145777
C -1.552133 -0.188223 0.316016
C 2.738353 0.753343 -0.207790
C 2.828464 -0.648054 -0.019353
C 1.351225 1.083787 -0.665978
C 1.501741 -1.258794 -0.350240
C 3.835402 1.594951 0.027162
C 4.018310 -1.253558 0.410352
C 5.043594 0.992385 0.465115
C 5.133715 -0.410222 0.653770
H -3.109244 -0.006675 2.281146
H -4.162826 -1.316103 1.640858
H -4.094804 -1.657431 -0.971765
H -3.042022 -0.552360 -1.908128
H -1.042810 0.510597 -1.705482
H -0.925200 -1.276553 -1.488989
H -5.629224 0.637286 2.089888
H -4.529456 1.720765 1.148573
H -4.464744 1.399609 -1.301223
H -5.518996 0.099129 -1.987519
H 3.753619 2.676297 -0.120342
H 4.075202 -2.337014 0.554150
H 5.920614 1.617986 0.662904
H 6.078921 -0.846411 0.994349


