%chk=000115581.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115581

0 1
 O   2.9899999E-02  -1.512100      -1.644600    
 O   0.7945000       2.302300       1.129900    
 O    4.230700     -0.4022000     -0.2139000    
 N    2.104300     -0.9546000     -0.8793000    
 N    2.478900      0.8927000      0.5091000    
 C   0.1460000      0.2057000      8.2599998E-02
 C   -1.124400      0.9225000     -0.4633000    
 C   -2.270500     -9.7800002E-02 -0.3104000    
 C  -0.4675000     -0.5288000       1.311100    
 C   -1.848700      -1.017500      0.8465000    
 C   -3.621000      0.5650000     -6.1099999E-02
 C  -0.9917000       1.484100      -1.876700    
 C   0.7267000     -0.8114000     -0.9102000    
 C    1.143800       1.244500      0.6043000    
 C   0.3664000      -1.650400       1.921800    
 C   -4.716800     -0.4650000      0.1414000    
 C    3.019500     -0.1769000     -0.1870000    
 H   -1.355500       1.780000      0.1850000    
 H   -2.354000     -0.7038000      -1.222100    
 H  -0.6359000      0.2081000       2.110900    
 H   -2.534500      -1.001400       1.699100    
 H   -1.803300      -2.053800      0.4899000    
 H   -3.882000       1.200100     -0.9155000    
 H   -3.576100       1.217100      0.8194000    
 H   -1.882800       2.061600      -2.144200    
 H  -0.1284000       2.153500      -1.948900    
 H  -0.8763000      0.6981000      -2.628500    
 H  -0.1419000      -2.064500       2.799400    
 H   0.5272000      -2.474400       1.219500    
 H    1.342900      -1.281000       2.248900    
 H   -4.752900      -1.173300     -0.6927000    
 H   -4.599300      -1.030400       1.069400    
 H   -5.689300      3.6200002E-02  0.1930000    
 H    2.492300      -1.691600      -1.461700    
 H    3.143500       1.524300      0.9474000    


%chk=000115581-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115581

0 1
O 0.049272 -1.917473 -1.153410
O 0.916191 1.988463 1.631375
O 4.163649 0.222210 -1.176204
N 2.061981 -0.803542 -1.132779
N 2.489997 1.083798 0.211421
C 0.178801 0.078499 0.281885
C -1.059591 0.841205 -0.358916
C -2.258118 -0.148095 -0.223415
C -0.516008 -0.621620 1.519732
C -1.915522 -1.058313 0.999609
C -3.610037 0.596205 -0.102803
C -0.827593 1.378711 -1.782497
C 0.727325 -0.955358 -0.701841
C 1.198546 1.111968 0.771155
C 0.298778 -1.743322 2.187498
C -4.829600 -0.349127 -0.167570
C 2.989557 0.172084 -0.733326
H -1.233497 1.695747 0.327392
H -2.286136 -0.780897 -1.131671
H -0.647441 0.203517 2.247490
H -2.665614 -0.961863 1.807870
H -1.889363 -2.117740 0.692790
H -3.693944 1.346974 -0.915006
H -3.626442 1.163593 0.851133
H -1.725879 1.916395 -2.135535
H 0.016714 2.092291 -1.825453
H -0.632113 0.558247 -2.497573
H -0.251405 -2.136206 3.061715
H 0.465855 -2.588026 1.494632
H 1.279456 -1.382566 2.551527
H -4.853383 -0.897773 -1.127879
H -4.799763 -1.098890 0.644418
H -5.777523 0.211514 -0.073428
H 2.406514 -1.494714 -1.807725
H 3.150134 1.799006 0.533892


