%chk=000017886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017886

0 1
 O    5.482600      -1.783500       1.895500    
 O   -7.285500     -0.7252000     -0.8088000    
 O   -7.280200      0.8515000      0.7186000    
 N    5.016700      0.1339000     -0.1569000    
 N  -0.5618000      0.4723000     -0.4916000    
 N   -1.089400     -0.3179000      0.3260000    
 N   -6.677000      2.6100000E-02 -8.8999998E-03
 C    5.691900      -1.124500     -0.4048000    
 C    5.802800       1.300300      0.1926000    
 C    3.611200      0.2188000     -0.2412000    
 C    5.190000      -2.183000      0.5625000    
 C    2.914100     -0.6069000      -1.123300    
 C    2.918400       1.128900      0.5574000    
 C    5.623500       2.409600     -0.8300000    
 C    1.524300     -0.5227000      -1.206900    
 C    1.528500       1.213000      0.4738000    
 C   0.8316000      0.3872000     -0.4083000    
 C   -2.489700     -0.2318000      0.2420000    
 C   -3.180600      -1.056900     -0.6396000    
 C   -3.174500      0.6784000       1.041200    
 C   -5.262200     -6.0699999E-02  7.5700000E-02
 C   -4.570300     -0.9711000     -0.7231000    
 C   -4.564200      0.7642000      0.9580000    
 H    6.773300      -1.011900     -0.2593000    
 H    5.562700      -1.447800      -1.443400    
 H    5.566000       1.657300       1.201100    
 H    6.870300       1.050200      0.2252000    
 H    5.716000      -3.125600      0.3795000    
 H    4.119800      -2.391500      0.4899000    
 H    3.415700      -1.314300      -1.776300    
 H    3.418500       1.776700       1.270200    
 H    5.855400       2.053000      -1.839500    
 H    4.607200       2.813300     -0.8428000    
 H    6.300700       3.239500     -0.6028000    
 H   0.9900000      -1.166800      -1.900700    
 H   0.9968000       1.922700       1.102400    
 H    5.010400     -0.9500000       2.061500    
 H   -2.649100      -1.769400      -1.264900    
 H   -2.638000       1.324000       1.731600    
 H   -5.080700      -1.629400      -1.421500    
 H   -5.069800       1.484900       1.595600    


%chk=000017886-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017886

0 1
O 6.679019 -0.688439 2.256056
O -7.578354 1.287469 -0.265776
O -7.777166 -0.940663 0.193002
N 4.991368 0.099589 -0.104408
N -0.663734 0.590429 -0.146257
N -1.396715 -0.487004 0.071869
N -7.069573 0.120953 -0.027133
C 5.680286 -1.203306 0.030972
C 5.854553 1.278954 -0.367918
C 3.599927 0.195147 -0.114666
C 5.859361 -1.645362 1.501565
C 2.771592 -0.961056 0.121330
C 2.936239 1.447352 -0.352376
C 6.029081 1.586970 -1.872497
C 1.379502 -0.870570 0.115922
C 1.540257 1.529923 -0.347756
C 0.729576 0.381366 -0.117445
C -2.801948 -0.243337 0.031044
C -3.408731 1.024661 -0.223509
C -3.623206 -1.382802 0.264752
C -5.599362 -0.006079 -0.006283
C -4.804790 1.144265 -0.242185
C -5.022926 -1.272569 0.248101
H 6.683486 -1.100682 -0.418539
H 5.150388 -1.990195 -0.539357
H 5.443695 2.158341 0.161331
H 6.838570 1.071911 0.087996
H 6.422497 -2.593522 1.532931
H 4.876923 -1.798233 1.991738
H 3.229346 -1.935233 0.312356
H 3.513971 2.352993 -0.551092
H 6.492577 0.732265 -2.397123
H 5.059662 1.797583 -2.356012
H 6.683836 2.467066 -2.008488
H 0.758074 -1.753600 0.294329
H 1.036470 2.484820 -0.531342
H 6.138101 0.122052 2.434830
H -2.760939 1.887359 -0.401524
H -3.131320 -2.341415 0.456242
H -5.300300 2.099861 -0.433705
H -5.673894 -2.132362 0.424724


