%chk=000083824.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083824

0 1
 O    4.700600      3.4000002E-02  0.5217000    
 O   -2.214700     -8.5600004E-02   3.104600    
 O    3.105800       1.917400       1.158400    
 O    2.312300       3.014200     -0.7135000    
 N  -0.4414000      -2.234200     -6.0000003E-04
 N   -3.215000       1.217700       1.432400    
 C  -0.5541000     -0.9420000      0.6845000    
 C    1.778900     -0.3469000     -2.2600001E-02
 C   -2.076900     -0.7394000      0.7219000    
 C    1.858000      -1.748200     -0.6835000    
 C   0.3079000      0.1220000      3.9999999E-04
 C   0.9237000      -2.751000      2.0800000E-02
 C   -2.628800      -2.174900      0.8539000    
 C    2.706500      0.6369000     -0.7607000    
 C   -1.419400      -3.095500      0.6566000    
 C    3.301900      -2.263000     -0.7164000    
 C    4.157400      0.1252000     -0.7968000    
 C    4.230800      -1.269900      -1.420100    
 C   -2.697400      1.0200000E-02 -0.4318000    
 C   -2.484200      0.1362000       1.933500    
 C   -3.342400       1.147600      5.0700001E-02
 C    2.674500       2.000200     -0.1323000    
 C   -2.713500     -0.2731000      -1.787400    
 C   -4.004600       2.037700     -0.7720000    
 C   -3.376800      0.6125000      -2.642900    
 C   -4.015700       1.759100      -2.139000    
 C    3.126700       3.152900       1.880200    
 H  -0.1865000      -1.050100       1.717400    
 H    2.108900     -0.4429000       1.022000    
 H    1.519100      -1.653700      -1.726700    
 H   0.2146000       1.068200      0.5453000    
 H  -2.2500001E-02  0.3064000      -1.028200    
 H   0.9596000      -3.710000     -0.5100000    
 H    1.266100      -2.931300       1.048300    
 H   -3.389200      -2.393700      9.4400004E-02
 H   -3.085000      -2.362300       1.832600    
 H    2.353800      0.7500000      -1.795100    
 H   -1.061000      -3.447500       1.632200    
 H   -1.674300      -3.966600      4.5100000E-02
 H    3.343300      -3.225100      -1.240900    
 H    3.658900      -2.444800      0.3049000    
 H    4.794200      0.8122000      -1.366700    
 H    5.257100      -1.651300      -1.360100    
 H    3.963200      -1.211600      -2.482100    
 H   -3.612000       1.960600       1.995400    
 H   -2.224800      -1.155300      -2.186200    
 H    4.852100      0.9386000      0.8428000    
 H   -4.500500       2.918100     -0.3796000    
 H   -3.400000      0.4127000      -3.710900    
 H   -4.525300       2.432500      -2.822900    
 H    3.490500       2.949700       2.890800    
 H    2.116900       3.568900       1.947000    
 H    3.806600       3.861600       1.397900    


%chk=000083824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083824

0 1
O 4.737331 -0.156769 0.584176
O -2.224881 0.054393 3.184983
O 3.233609 2.047617 1.212381
O 2.104566 3.041616 -0.562724
N -0.472848 -2.244925 -0.011667
N -3.170072 1.303324 1.409684
C -0.557545 -0.964696 0.736837
C 1.779077 -0.388716 -0.004120
C -2.106050 -0.732784 0.793345
C 1.838513 -1.738840 -0.776073
C 0.317133 0.116074 0.087582
C 0.902855 -2.770989 -0.107623
C -2.643076 -2.196333 1.020168
C 2.722728 0.641319 -0.700543
C -1.464639 -3.141637 0.632622
C 3.286085 -2.273133 -0.874243
C 4.191775 0.102430 -0.752670
C 4.237716 -1.236581 -1.510856
C -2.693235 -0.024861 -0.418172
C -2.483478 0.213911 1.962685
C -3.315817 1.182059 0.002637
C 2.631980 2.022924 -0.070100
C -2.703874 -0.375249 -1.777239
C -3.955839 2.051280 -0.897694
C -3.342855 0.489133 -2.705788
C -3.960175 1.684911 -2.267894
C 3.181437 3.345660 1.931551
H -0.222601 -1.101699 1.800700
H 2.167024 -0.563111 1.021423
H 1.449406 -1.555307 -1.801682
H 0.261716 1.043958 0.689657
H -0.064658 0.351414 -0.923311
H 0.886150 -3.703208 -0.704623
H 1.311224 -3.032559 0.905187
H -3.538887 -2.371232 0.402902
H -2.917783 -2.329624 2.080531
H 2.377900 0.779006 -1.744363
H -1.044965 -3.617285 1.553169
H -1.766458 -3.948118 -0.059629
H 3.300872 -3.209357 -1.466319
H 3.659039 -2.515749 0.138964
H 4.824662 0.853033 -1.276609
H 5.278795 -1.607059 -1.491223
H 3.966047 -1.059440 -2.570791
H -3.532199 2.069336 1.977400
H -2.212120 -1.297777 -2.102919
H 4.492913 0.618299 1.161247
H -4.434289 2.978516 -0.564233
H -3.357409 0.230487 -3.770034
H -4.449639 2.341421 -2.995994
H 3.691971 3.160656 2.886917
H 2.131877 3.641108 2.092515
H 3.694888 4.126553 1.346575


