%chk=000110891.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110891

0 1
 O  -0.5020000      -1.266500      -1.960900    
 O   -3.238500     -0.9131000      -1.464800    
 N   0.8237000     -0.3889000     -0.2663000    
 N   -4.439900       1.353500     -9.3900003E-02
 N   -1.469300     -0.2311000     -0.1092000    
 C    2.102900     -0.7339000     -0.8285000    
 C    2.613700      -2.094400     -0.3154000    
 C    3.436200      -1.809400      0.9530000    
 C    3.189100      0.1792000     -0.3436000    
 C    3.946800     -0.4334000      0.6627000    
 C    3.463100       1.474300     -0.7532000    
 C    4.985400      0.2384000       1.285200    
 C   -3.738700      0.2671000      0.5912000    
 C  -0.3905000     -0.6846000     -0.8831000    
 C    4.516700       2.154700     -0.1393000    
 C    5.271600       1.541600      0.8732000    
 C   -4.766100     -0.7231000       1.152400    
 C   -2.817600     -0.3720000     -0.4447000    
 C   -4.105900      -1.886300       1.882700    
 C   -3.484300       2.334600     -0.6060000    
 C   -5.396000       1.993100      0.8086000    
 H    2.040000     -0.7427000      -1.922200    
 H    1.815500      -2.821500     -0.1324000    
 H    3.282100      -2.530300      -1.071700    
 H    2.799600      -1.796000       1.843500    
 H    4.241900      -2.538300       1.077100    
 H   0.7994000      5.9599999E-02  0.6449000    
 H    2.875400       1.953600      -1.528800    
 H    5.564600     -0.2300000       2.073600    
 H   -3.149100      0.6626000       1.429600    
 H    4.752400       3.170900     -0.4435000    
 H    6.083900       2.089500       1.343100    
 H   -5.398500      -1.125800      0.3512000    
 H   -5.425400     -0.2549000       1.890200    
 H   -1.235000      0.2396000      0.7601000    
 H   -3.494600      -2.490200       1.205200    
 H   -4.869100      -2.541700       2.314900    
 H   -3.467800      -1.527400       2.696600    
 H   -2.857100       1.930800      -1.407400    
 H   -2.836100       2.734800      0.1826000    
 H   -4.014300       3.180100      -1.061300    
 H   -4.953600       2.258200       1.775900    
 H   -5.782500       2.918200      0.3626000    
 H   -6.287100       1.377500      0.9664000    


%chk=000110891-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110891

0 1
O -0.417441 -0.700651 -2.122404
O -3.099928 -1.377861 -0.954448
N 0.856660 -0.126033 -0.252907
N -4.820805 1.038754 -0.279204
N -1.475179 0.117313 -0.146671
C 2.154011 -0.386971 -0.924510
C 2.555830 -1.899871 -0.951035
C 3.456535 -2.123526 0.302476
C 3.286530 0.253790 -0.127190
C 4.021258 -0.734348 0.578176
C 3.615628 1.620385 -0.017189
C 5.103954 -0.357521 1.400348
C -3.820546 0.394975 0.608103
C -0.340997 -0.292012 -0.936409
C 4.705033 1.997550 0.805133
C 5.443048 1.013547 1.508567
C -4.459624 -0.609516 1.602817
C -2.790544 -0.380536 -0.262260
C -3.424546 -1.264307 2.542890
C -4.201250 1.843006 -1.355925
C -5.852946 1.806734 0.446620
H 2.053177 0.007967 -1.950274
H 1.668621 -2.552254 -0.988124
H 3.146517 -2.085427 -1.866608
H 2.865194 -2.482771 1.168423
H 4.245342 -2.875669 0.122506
H 0.861276 0.015181 0.759579
H 3.045785 2.378658 -0.566682
H 5.681842 -1.112875 1.945536
H -3.264627 1.176292 1.207672
H 4.985092 3.053183 0.893448
H 6.287538 1.317698 2.137603
H -4.975984 -1.379876 1.002059
H -5.219907 -0.090468 2.213455
H -1.334252 0.882123 0.519068
H -2.692529 -1.870019 1.978784
H -3.926869 -1.936193 3.261385
H -2.869800 -0.504736 3.127943
H -3.553116 1.208053 -1.982554
H -3.592568 2.703860 -0.974523
H -4.995856 2.250122 -2.005001
H -5.431793 2.629831 1.080773
H -6.536595 2.263617 -0.290062
H -6.456167 1.147200 1.090916


