%chk=000113947.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113947

0 1
 O    1.506300       1.405600      4.4799998E-02
 O    1.465900      -1.468700      4.1700002E-02
 O    1.503300       3.033300      -1.583100    
 O    1.286300      -3.579400     -0.8598000    
 N    3.396900       2.566400     -0.3652000    
 N    3.338700      -2.620400     -0.4662000    
 C  -0.4357000     -4.3000001E-03  0.6834000    
 C   -2.027400      6.4999998E-02  0.7130000    
 C   0.1465000      0.1559000       2.125200    
 C   -2.671800     -3.3599999E-02 -0.6965000    
 C   0.1369000       1.129300     -0.2224000    
 C   4.8799999E-02  -1.366400      9.6900001E-02
 C   -2.659100     -0.9832000       1.648900    
 C   -4.177400      0.2601000     -0.7053000    
 C  -0.1628000       1.470100       2.837800    
 C   -4.741400      0.2180000      -2.118100    
 C    2.080100       2.390900     -0.7122000    
 C    1.965900      -2.638700     -0.4629000    
 H   -2.301300       1.051600       1.109300    
 H    1.239700      5.8200002E-02   2.093300    
 H  -0.1748000     -0.6756000       2.761900    
 H   -2.509200      -1.034300      -1.113400    
 H   -2.190900      0.6777000      -1.375900    
 H   3.3199999E-02  0.8588000      -1.280500    
 H  -0.4346000       2.051100     -5.4200001E-02
 H  -0.3276000      -2.188600      0.7164000    
 H  -0.3406000      -1.498100     -0.9189000    
 H   -2.244100     -0.9429000       2.658200    
 H   -3.732100     -0.8075000       1.771400    
 H   -2.532300      -1.999000       1.262600    
 H   -4.367500       1.247200     -0.2690000    
 H   -4.721000     -0.4762000     -0.1058000    
 H   0.1875000       2.336900       2.271500    
 H   -1.234200       1.584300       3.023300    
 H   0.3396000       1.488300       3.810900    
 H   -4.259300      0.9660000      -2.755700    
 H   -4.592600     -0.7675000      -2.570800    
 H   -5.815700      0.4267000      -2.103600    
 H    3.977300       3.258600     -0.8267000    
 H    3.829700       2.009100      0.3636000    
 H    3.877000      -3.409200     -0.8080000    
 H    3.856900      -1.816900     -0.1269000    


%chk=000113947-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113947

0 1
O 1.361036 1.767109 0.179680
O 1.533677 -1.053532 -0.004063
O 1.791327 1.345295 -2.106904
O 1.657459 -3.323076 -0.641996
N 3.512812 1.674572 -0.545310
N 3.546876 -1.918871 -0.558254
C -0.484271 0.127697 0.738911
C -2.070612 0.071134 0.741549
C 0.099860 0.132192 2.188812
C -2.700918 -0.082702 -0.679806
C -0.075838 1.437657 0.001027
C 0.053238 -1.112558 -0.014453
C -2.637321 -1.018390 1.688674
C -4.166123 0.409389 -0.764466
C -0.356869 1.293857 3.098076
C -4.770049 0.222724 -2.173427
C 2.185639 1.567251 -0.937234
C 2.206074 -2.213010 -0.431447
H -2.407111 1.054749 1.136055
H 1.199686 0.159021 2.099159
H -0.147265 -0.833826 2.669799
H -2.663329 -1.148108 -0.987701
H -2.116760 0.477297 -1.436276
H -0.272261 1.378682 -1.083409
H -0.614748 2.300425 0.427927
H -0.264897 -2.054953 0.466254
H -0.273715 -1.123390 -1.069414
H -2.365198 -0.840577 2.743009
H -3.740423 -1.033033 1.634871
H -2.281241 -2.027729 1.410589
H -4.203853 1.482003 -0.483407
H -4.793024 -0.128728 -0.026443
H -0.047965 2.273733 2.691752
H -1.452701 1.313720 3.242872
H 0.104630 1.195156 4.097973
H -4.182515 0.771261 -2.933665
H -4.776723 -0.844948 -2.463101
H -5.811015 0.591886 -2.219057
H 4.215138 1.778485 -1.273896
H 3.728956 1.939374 0.414095
H 4.182322 -2.654596 -0.851897
H 3.861116 -0.954041 -0.452456


