%chk=000060773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060773

0 1
 O    2.960500       1.141500     -0.8877000    
 O   0.4996000       2.102100      5.0299998E-02
 O    4.584000      0.9071000      0.7310000    
 O   -5.166900     -0.8327000      -1.152000    
 N   -1.750400       1.661800      0.4012000    
 N    5.048700      -1.673700      1.2700000E-02
 N   -1.657100     -0.7166000      0.8853000    
 N   -3.673600       1.674300     -0.7294000    
 N   -3.517500      -1.963900      1.9200001E-02
 N   -1.777700      -2.999600       1.225800    
 C    2.599800      -1.704100     -0.5363000    
 C    3.960600     -0.9840000     -0.6822000    
 C    2.121000      -1.696000      0.9195000    
 C    2.604300      -3.141300      -1.070700    
 C    3.900100      0.4493000     -0.1755000    
 C   -2.193000      0.3929000      0.3702000    
 C  -0.5333000       2.163900       1.023400    
 C    2.789400       2.512500     -0.5147000    
 C   -3.368700      0.4061000     -0.3219000    
 C    1.727700       2.603100      0.5644000    
 C   -2.674000       2.411500     -0.2753000    
 C   -4.109000     -0.8215000     -0.5344000    
 C   -2.374600      -1.892800      0.6770000    
 H    1.854300      -1.150700      -1.123100    
 H    4.232100     -0.9402000      -1.744200    
 H    1.142800      -2.180400      0.9959000    
 H    2.005800     -0.6790000       1.306400    
 H    2.802500      -2.241200       1.580100    
 H    2.937500      -3.162700      -2.113500    
 H    3.267000      -3.788300     -0.4867000    
 H    1.597500      -3.571000      -1.032200    
 H  -0.7172000       3.196600       1.339300    
 H  -0.3016000       1.538400       1.891700    
 H    5.925800      -1.178500     -0.1442000    
 H    4.889200      -1.661500       1.018700    
 H    3.733000       2.968700     -0.1952000    
 H    2.455700       3.039100      -1.415100    
 H    2.017900       2.007500       1.437200    
 H    1.599400       3.647700      0.8686000    
 H   -2.571900       3.480000     -0.4092000    
 H  -0.7840000     -0.7299000       1.401800    
 H  -0.9149000      -2.929900       1.753500    
 H   -2.199200      -3.918200       1.141900    


%chk=000060773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060773

0 1
O 2.002394 0.739757 -0.926519
O 0.141757 2.823093 0.204825
O 4.180195 0.689305 -0.086737
O -4.648599 -1.606407 -0.940315
N -1.545724 1.341192 0.974918
N 4.103086 -2.219558 -0.234126
N -0.746720 -0.128146 -0.882920
N -3.734568 0.663565 1.010097
N -2.458787 -1.576822 -1.805046
N -0.275678 -1.595448 -2.673598
C 2.094679 -1.661013 1.179013
C 2.871460 -1.434094 -0.174177
C 2.977854 -1.362369 2.411826
C 1.544937 -3.103715 1.212357
C 3.134062 0.072885 -0.370054
C -1.694280 0.367473 -0.008690
C -0.328705 2.029762 1.351491
C 2.125234 2.222309 -1.124559
C -3.032228 -0.056784 0.016930
C 1.603001 2.983532 0.094009
C -2.838196 1.486700 1.555289
C -3.487888 -1.119594 -0.902649
C -1.223754 -1.105873 -1.780681
H 1.231154 -0.961843 1.178597
H 2.196618 -1.770031 -0.983946
H 2.380286 -1.453879 3.336467
H 3.416363 -0.346982 2.386965
H 3.804489 -2.092756 2.482470
H 0.810754 -3.275093 0.403405
H 2.373759 -3.822465 1.089662
H 1.041272 -3.304999 2.175029
H -0.564059 2.687765 2.209427
H 0.457044 1.302691 1.647709
H 4.418148 -2.462815 -1.176044
H 4.861819 -1.858249 0.350976
H 3.186040 2.462721 -1.314242
H 1.506676 2.435257 -2.010354
H 2.126732 2.655744 1.013516
H 1.797550 4.062655 -0.049888
H -3.024137 2.199484 2.356028
H 0.233016 0.199694 -0.897919
H 0.575181 -1.077897 -2.885569
H -0.620637 -2.282355 -3.341373


