%chk=000126470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126470

0 1
 O    3.901900       1.273900     -0.8729000    
 O    1.731300       3.591700     -0.4145000    
 O    3.520600       3.823900       1.629300    
 O    6.679500       1.676200     -0.5592000    
 O    1.467500      -4.388100      0.5514000    
 N    1.944100     -8.6000003E-03 -0.4762000    
 N   0.4924000      -1.678400     -8.1100002E-02
 N    3.989600      -1.291600     -0.1788000    
 N  -0.3485000      0.5211000     -0.5945000    
 N    3.640600      -3.604400      0.3654000    
 N    5.801900      -2.688400      0.1465000    
 C    2.461400       1.324600     -0.7891000    
 C    2.095800       2.384100      0.2520000    
 C    3.388100       2.553700       1.028300    
 C    4.440400       2.314000     -4.0300000E-02
 C    5.783600       1.880700      0.5191000    
 C    2.664900      -1.126100     -0.2154000    
 C   0.6243000     -0.3973000     -0.3817000    
 C    1.776600      -2.133700      2.3100000E-02
 C    2.247200      -3.468300      0.3359000    
 C    4.434400      -2.577400      0.1228000    
 C   -1.757700      0.4190000     -0.4319000    
 C   -2.593500       1.270400      -1.143300    
 C   -2.280900     -0.5299000      0.4372000    
 C   -4.510300      0.2212000     -0.1128000    
 C   -3.975700       1.171100     -0.9831000    
 C   -3.663000     -0.6293000      0.5973000    
 C   -5.943900      0.1167000      5.2200001E-02
 C   -6.589800      0.8679000       1.034200    
 C   -6.680400     -0.7353000     -0.7709000    
 C   -7.971900      0.7671000       1.193100    
 C   -8.062500     -0.8360000     -0.6121000    
 C   -8.708200     -8.4700003E-02  0.3700000    
 H    2.086900       1.567700      -1.790400    
 H    1.267400       2.123700      0.9172000    
 H    3.444200       1.779900       1.804300    
 H    4.579100       3.200800     -0.6723000    
 H    5.709700      0.9423000       1.077500    
 H    6.207100       2.646000       1.176000    
 H   0.9194000       3.412800     -0.9188000    
 H    4.388600       3.855900       2.065600    
 H    4.654600     -0.5524000     -0.3747000    
 H  -9.0000004E-02   1.419200     -0.9962000    
 H    6.292700      0.9974000      -1.138300    
 H   -2.188200       2.013500      -1.824700    
 H   -1.654600      -1.189700       1.028200    
 H    6.253200      -3.572700      0.3536000    
 H    6.400500      -1.891100     -3.9500002E-02
 H   -4.622100       1.841600      -1.544800    
 H   -4.063500      -1.371200       1.284300    
 H   -6.030900       1.536900       1.684400    
 H   -6.192800      -1.328000      -1.541400    
 H   -8.474800       1.352000       1.957600    
 H   -8.636000      -1.499300      -1.252900    
 H   -9.784400     -0.1632000      0.4936000    


%chk=000126470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126470

0 1
O 3.954259 1.459991 -1.054564
O 1.894860 3.770651 -0.622946
O 3.536271 3.965157 1.488525
O 6.427907 0.591650 -0.153024
O 1.637540 -4.417615 0.558941
N 2.020939 0.091030 -0.668818
N 0.549017 -1.613383 -0.196654
N 4.147404 -1.235888 -0.395725
N -0.367610 0.583495 -0.810782
N 3.806170 -3.524646 0.330047
N 5.973472 -2.637845 0.066319
C 2.490712 1.453654 -0.994995
C 2.092395 2.506852 0.070673
C 3.341743 2.591885 1.005647
C 4.530353 2.216775 0.090295
C 5.591959 1.346667 0.795770
C 2.775558 -1.059546 -0.390085
C 0.653973 -0.329371 -0.558052
C 1.875375 -2.085330 -0.079775
C 2.371804 -3.427666 0.285518
C 4.596439 -2.509215 0.010209
C -1.758482 0.401436 -0.583414
C -2.624509 1.481202 -0.909417
C -2.308627 -0.792454 -0.045171
C -4.582891 0.191741 -0.145812
C -4.008895 1.372732 -0.694589
C -3.697873 -0.875925 0.168229
C -6.050360 0.081471 0.086712
C -6.830738 1.226314 0.414067
C -6.717363 -1.172556 -0.008579
C -8.220619 1.123330 0.634709
C -8.106206 -1.278285 0.216616
C -8.867762 -0.130654 0.538612
H 2.116442 1.763964 -1.988591
H 1.180428 2.219966 0.626954
H 3.236532 1.879086 1.845932
H 4.979675 3.140427 -0.322151
H 5.115059 0.562761 1.406453
H 6.211474 1.989036 1.452781
H 2.319772 4.482488 -0.067103
H 3.130998 4.080047 2.384006
H 4.797804 -0.508685 -0.721611
H -0.118441 1.445429 -1.298870
H 6.887523 1.206867 -0.777561
H -2.213060 2.404157 -1.340039
H -1.645966 -1.628718 0.190236
H 6.335490 -3.548113 0.336703
H 6.589255 -1.830912 -0.029063
H -4.657060 2.206760 -0.985627
H -4.096930 -1.793644 0.614404
H -6.339961 2.199875 0.527736
H -6.149596 -2.066468 -0.290191
H -8.797107 2.019130 0.893015
H -8.596105 -2.254868 0.130422
H -9.946540 -0.212341 0.711977


