%chk=000096820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096820

0 1
 O    1.346900     -0.2758000      -1.803300    
 O   -2.485500     -0.4766000      7.4199997E-02
 O    5.289900      -1.073500     -0.4097000    
 O    6.061200      0.7400000      -1.517100    
 O   0.5535000      -6.383000       1.322200    
 O  -0.8367000      0.3026000       1.470500    
 O    1.972700      -5.812500     -0.3550000    
 O  -0.9831000       4.747200       1.007200    
 N    2.877600     -0.1200000     -6.4000003E-02
 N  -0.4292000      -1.366200     -8.9299999E-02
 C   0.9683000      -1.583300      0.1963000    
 C    3.787100      0.8084000     -0.6959000    
 C    1.366200      -3.030600     -0.1164000    
 C    3.937700       2.088400      0.1366000    
 C    1.724200     -0.5882000     -0.6753000    
 C   0.6904000      -4.076700      0.7734000    
 C    2.625400       2.797900      0.3685000    
 C    5.150800      0.1725000     -0.9226000    
 C    1.853200       2.486800       1.487800    
 C    2.184900       3.764200     -0.5359000    
 C   -1.213200     -0.4424000      0.5715000    
 C    1.149900      -5.489400      0.4904000    
 C   0.6407000       3.141900       1.702600    
 C   0.9724000       4.419400     -0.3212000    
 C   0.2003000       4.108200      0.7981000    
 C   -3.413800      0.4361000      0.6709000    
 C   -4.753300      0.2708000      1.5200000E-02
 C   -5.078800       1.031600      -1.107600    
 C   -5.673100     -0.6434000      0.5287000    
 C   -6.324300      0.8784000      -1.717000    
 C   -6.918400     -0.7968000     -8.0499999E-02
 C   -7.244000     -3.5900000E-02  -1.203400    
 H    1.148800      -1.358200       1.254100    
 H    3.394700       1.054300      -1.690100    
 H    2.455500      -3.127700     -1.4600000E-02
 H    1.148700      -3.258700      -1.168900    
 H    4.639900       2.777300     -0.3516000    
 H    4.396000       1.854900       1.107800    
 H    3.132600     -0.4781000      0.8519000    
 H  -0.3948000      -4.044900      0.6274000    
 H   0.9121000      -3.856300       1.823700    
 H  -0.8551000      -1.883800     -0.8528000    
 H    2.185100       1.737900       2.202000    
 H    2.776800       4.013100      -1.412700    
 H   4.9400002E-02   2.892500       2.579500    
 H   0.6341000       5.170500      -1.029700    
 H   -3.054400       1.465000      0.5442000    
 H   -3.491500      0.2346000       1.746600    
 H    6.183800      -1.441300     -0.5766000    
 H   0.8578000      -7.300000       1.152200    
 H   -4.369800       1.745700      -1.518100    
 H   -5.430400      -1.243300       1.401800    
 H   -1.385200       4.405900       1.824500    
 H   -6.577500       1.470400      -2.591600    
 H   -7.634500      -1.509100      0.3189000    
 H   -8.213600     -0.1555000      -1.677900    


%chk=000096820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096820

0 1
O 1.821592 -0.342927 -1.751022
O -2.497773 -1.531629 -0.911656
O 5.085204 0.318090 1.634016
O 6.032840 1.640693 -0.030612
O 0.759328 -6.566698 1.058371
O -1.647318 -1.918900 1.261341
O 2.869754 -5.624929 0.851385
O -2.315556 3.029025 -1.833205
N 2.780105 0.034087 0.341378
N -0.250643 -1.683159 -0.612988
C 1.016292 -1.692390 0.130174
C 3.616346 1.150608 -0.105302
C 1.738734 -3.067697 0.088033
C 3.009740 2.554170 0.306161
C 1.906130 -0.603360 -0.511328
C 0.853342 -4.196214 0.649673
C 1.597247 2.735939 -0.215645
C 5.033834 1.064818 0.443092
C 0.481123 2.324434 0.554437
C 1.358701 3.261949 -1.512478
C -1.462581 -1.723383 0.026074
C 1.626317 -5.483814 0.847030
C -0.833157 2.409445 0.048100
C 0.054857 3.362870 -2.032343
C -1.043713 2.923314 -1.255244
C -3.879128 -1.475976 -0.335320
C -4.239880 -0.075140 0.117330
C -4.777014 0.862772 -0.802475
C -4.045995 0.316337 1.467333
C -5.113809 2.171995 -0.381978
C -4.385058 1.622237 1.890813
C -4.920644 2.552355 0.969458
H 0.783323 -1.440418 1.182496
H 3.662676 1.105833 -1.207218
H 2.677141 -3.007582 0.670937
H 2.027401 -3.295316 -0.954933
H 3.690041 3.328387 -0.094057
H 3.032940 2.625437 1.410628
H 2.840298 -0.241284 1.323747
H -0.010394 -4.395807 -0.008441
H 0.416846 -3.907939 1.627007
H -0.199703 -1.391190 -1.595705
H 0.636438 1.932175 1.567113
H 2.205547 3.587163 -2.129250
H -1.684020 2.077802 0.656363
H -0.132954 3.761750 -3.033479
H -3.935594 -2.195709 0.499135
H -4.507895 -1.808794 -1.176122
H 6.014094 0.316628 1.990183
H 1.298045 -7.390430 1.211245
H -4.931466 0.567348 -1.847196
H -3.615493 -0.404128 2.171332
H -3.015575 2.634792 -1.246942
H -5.548349 2.882634 -1.093913
H -4.236642 1.912148 2.936775
H -5.187520 3.562879 1.297593


