%chk=000101833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101833

0 1
 O   -4.209100      0.4039000     -0.7011000    
 O   -2.519100      0.6144000      -2.225600    
 N   -1.949600       1.193700       1.063700    
 C   -1.962000      0.1238000      1.5200000E-02
 C   -2.195000      -1.203900      0.7437000    
 C   -2.096500      -2.449600     -0.1473000    
 C  -0.7761000      -2.629100     -0.9021000    
 C  -0.6289000       1.165900       1.835700    
 C   -3.097800      0.9814000       2.052300    
 C   -2.109200       2.571800      0.4184000    
 C   0.4474000      -2.691500      1.5400000E-02
 C    1.732500      -2.880800     -0.7938000    
 C    2.995500      -2.925400      7.1300000E-02
 C   -3.002900      0.4135000      -1.075200    
 C    3.281500      -1.666300      0.8973000    
 C    3.410200     -0.4007000      4.6200000E-02
 C    3.616900      0.8694000      0.8777000    
 C    3.772900       2.168000      8.0899999E-02
 C    2.539700       2.524100     -0.7500000    
 C    2.749500       3.817600      -1.522600    
 H  -0.9679000      0.1340000     -0.4494000    
 H   -1.509100      -1.354800       1.581300    
 H   -3.211500      -1.263000       1.152000    
 H   -2.912600      -2.435200     -0.8804000    
 H   -2.268000      -3.335500      0.4777000    
 H  -0.6527000      -1.821400      -1.632600    
 H  -0.8368000      -3.558700      -1.482100    
 H  -0.6195000       2.014700       2.526800    
 H   0.1918000       1.256600       1.120300    
 H  -0.5417000      0.2400000       2.406900    
 H   -4.053700      0.8811000       1.540300    
 H   -3.144200       1.876400       2.684100    
 H   -2.886500      0.1366000       2.714100    
 H   -1.941500       3.331400       1.189000    
 H   -3.123200       2.686200      2.7000001E-02
 H   -1.357900       2.673900     -0.3707000    
 H   0.3345000      -3.513200      0.7322000    
 H   0.5153000      -1.762500      0.5890000    
 H    1.665400      -3.827900      -1.344600    
 H    1.820200      -2.097400      -1.554600    
 H    3.854500      -3.118800     -0.5835000    
 H    2.930200      -3.781400      0.7544000    
 H    4.215100      -1.819400       1.452700    
 H    2.497400      -1.529200       1.650600    
 H    2.500400     -0.2747000     -0.5474000    
 H    4.242500     -0.5162000     -0.6582000    
 H    2.777700      0.9812000       1.575600    
 H    4.514900      0.7400000       1.494900    
 H    3.985300       2.984500      0.7821000    
 H    4.646200       2.080500     -0.5770000    
 H    2.312800       1.728800      -1.467100    
 H    1.669300       2.635700     -9.5200002E-02
 H    3.594400       3.729900      -2.213100    
 H    1.856200       4.058400      -2.107500    
 H    2.945600       4.653200     -0.8431000    


%chk=000101833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101833

0 1
O -4.160818 0.967040 -0.688091
O -2.858052 -0.276143 -2.195335
N -1.870364 1.193810 1.061601
C -2.019068 -0.014601 0.033443
C -2.292036 -1.351721 0.759545
C -2.177434 -2.579732 -0.188545
C -0.821809 -2.728678 -0.920431
C -0.605062 1.034565 1.887016
C -3.085651 1.296194 1.982030
C -1.760970 2.487544 0.256229
C 0.420900 -2.745091 -0.001124
C 1.737254 -2.942567 -0.787242
C 3.018272 -2.936968 0.085435
C -3.128713 0.269779 -1.065633
C 3.268087 -1.635518 0.891531
C 3.353828 -0.355537 0.028424
C 3.719567 0.902078 0.852269
C 3.814876 2.205334 0.020457
C 2.461093 2.716988 -0.528302
C 2.598266 4.031377 -1.327184
H -1.034825 -0.043774 -0.469838
H -1.586306 -1.500858 1.601690
H -3.315421 -1.339794 1.178835
H -2.974913 -2.515959 -0.949181
H -2.369104 -3.484637 0.423879
H -0.733714 -1.919387 -1.671266
H -0.847500 -3.673660 -1.500281
H -0.506760 1.900875 2.562093
H 0.262596 0.988133 1.210338
H -0.664298 0.111441 2.480423
H -3.963633 1.293617 1.308479
H -3.004727 2.230286 2.562584
H -3.097493 0.430229 2.660233
H -1.576070 3.324383 0.949937
H -2.709773 2.616531 -0.285430
H -0.925852 2.390810 -0.455642
H 0.318528 -3.551461 0.756372
H 0.477947 -1.793316 0.567034
H 1.683433 -3.906960 -1.332519
H 1.811449 -2.159694 -1.569230
H 3.894271 -3.120942 -0.570360
H 2.974682 -3.790176 0.793682
H 4.215381 -1.747956 1.458684
H 2.472450 -1.506795 1.655148
H 2.389668 -0.195986 -0.494111
H 4.114089 -0.500449 -0.767415
H 2.973948 1.039074 1.666809
H 4.690898 0.721624 1.356991
H 4.265089 3.005694 0.643185
H 4.510575 2.044648 -0.829208
H 2.001123 1.943450 -1.175367
H 1.767750 2.875781 0.326122
H 3.267282 3.893271 -2.196928
H 1.621815 4.383387 -1.708211
H 3.028047 4.834418 -0.699021


