%chk=000108255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108255

0 1
 O    5.065400       2.531300      0.4353000    
 O    5.235900       1.248100      -1.342900    
 O   -5.015300       2.439800      -1.037700    
 O   -6.129400      0.6538000     -0.3999000    
 N    4.646100       1.601800     -0.2944000    
 N   -5.056100       1.285100     -0.5502000    
 C  -0.1409000      -1.210400       1.049200    
 C    1.128500      -1.929000      -1.013200    
 C   0.2152000      -2.433400      0.1381000    
 C    1.119000     -0.3839000      0.8345000    
 C    1.809400     -0.7722000     -0.3258000    
 C   -1.455600     -0.5425000      0.6221000    
 C  -0.2521000      -1.664300       2.518700    
 C   0.3281000      -1.455500      -2.232400    
 C    2.104500      -3.033800      -1.438300    
 C    2.972500     -0.1176000     -0.7129000    
 C    1.608500      0.6467000       1.632000    
 C    3.456900      0.9222000      8.1900001E-02
 C   -1.436300      0.7392000      7.9000004E-02
 C   -2.660300      -1.222500      0.7797000    
 C    2.781500       1.299300       1.249200    
 C   -2.630900       1.345700     -0.3095000    
 C   -3.854800     -0.6161000      0.3911000    
 C   -3.840100      0.6681000     -0.1537000    
 H   0.7723000      -3.170200      0.7369000    
 H  -0.6669000      -2.960800     -0.2438000    
 H   0.7034000      -2.055500       2.890100    
 H  -0.5385000     -0.8336000       3.175100    
 H  -0.9925000      -2.460400       2.652200    
 H  -0.2638000      -2.276500      -2.652300    
 H  -0.3570000     -0.6368000      -2.005000    
 H   0.9972000      -1.092300      -3.021700    
 H    2.738500      -3.355600     -0.6037000    
 H    1.562600      -3.912500      -1.805600    
 H    2.771100      -2.696200      -2.239900    
 H    3.478100     -0.4310000      -1.621400    
 H    1.086700      0.9552000       2.532100    
 H  -0.5251000       1.306700     -7.1999997E-02
 H   -2.696200      -2.228400       1.187000    
 H    3.141300       2.105200       1.884500    
 H   -2.581100       2.346100     -0.7320000    
 H   -4.777300      -1.175500      0.5243000    


%chk=000108255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108255

0 1
O 5.121138 2.615523 0.394171
O 5.355980 1.193858 -1.372810
O -5.151737 2.573035 -0.832359
O -6.241534 0.608461 -0.435586
N 4.726109 1.621119 -0.329037
N -5.171134 1.330783 -0.479696
C -0.128403 -1.228687 1.041254
C 1.158812 -2.005520 -1.008236
C 0.181631 -2.476928 0.124172
C 1.120060 -0.370244 0.804580
C 1.843645 -0.811512 -0.334417
C -1.438165 -0.520691 0.616199
C -0.251328 -1.646572 2.537013
C 0.384897 -1.532352 -2.274415
C 2.153776 -3.124934 -1.399328
C 3.028363 -0.161698 -0.722752
C 1.582392 0.720414 1.573195
C 3.472249 0.927637 0.060947
C -1.485331 0.840016 0.215535
C -2.657349 -1.255233 0.645944
C 2.773263 1.379663 1.203518
C -2.701387 1.455070 -0.144830
C -3.881170 -0.663011 0.290714
C -3.886940 0.693811 -0.102054
H 0.693998 -3.238828 0.742839
H -0.731235 -2.938891 -0.289438
H 0.688752 -2.113360 2.880791
H -0.464314 -0.775930 3.182987
H -1.068569 -2.375320 2.679806
H -0.135610 -2.387467 -2.744069
H -0.368405 -0.763759 -2.028744
H 1.078613 -1.103861 -3.020868
H 2.765805 -3.440694 -0.534847
H 1.607207 -4.009380 -1.775676
H 2.839504 -2.793997 -2.201303
H 3.615783 -0.472197 -1.591310
H 1.032671 1.054825 2.459694
H -0.563877 1.427605 0.177269
H -2.649634 -2.307550 0.949764
H 3.170615 2.223560 1.773019
H -2.745600 2.501913 -0.457030
H -4.821037 -1.220877 0.310094


