%chk=000025652.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025652

0 1
 O    2.534900     -0.2323000      -1.432000    
 N    3.943500      -1.123800      0.1503000    
 C  -0.4922000      -1.618200      0.4574000    
 C   -1.675000      -2.336400     -0.1895000    
 C  -0.5173000     -0.1243000      0.2504000    
 C   -2.978800      -1.624000      0.1465000    
 C   -2.971900     -0.2035000     -0.4152000    
 C   -1.696600      0.5468000     -0.1224000    
 C   0.6498000      0.6164000      0.4920000    
 C   -1.674800       1.940700     -0.2814000    
 C    1.924700     -4.5400001E-02  0.9090000    
 C   0.6555000       2.002600      0.3401000    
 C  -0.5055000       2.664100     -4.8900001E-02
 C    2.803800     -0.4626000     -0.2563000    
 H   0.4190000      -2.057200      3.6499999E-02
 H  -0.5004000      -1.817400       1.536400    
 H   -1.544000      -2.366900      -1.278700    
 H   -1.710700      -3.374700      0.1589000    
 H   -3.110500      -1.594300       1.235600    
 H   -3.829900      -2.178100     -0.2650000    
 H   -3.829100      0.3418000     -2.6000000E-03
 H   -3.098600     -0.2447000      -1.504400    
 H   -2.573100       2.470700     -0.5888000    
 H    2.510400      0.6464000       1.530300    
 H    1.739300     -0.9113000       1.554600    
 H    1.558900       2.580400      0.5175000    
 H  -0.5013000       3.743000     -0.1725000    
 H    4.147900      -1.301300       1.128500    
 H    4.622100      -1.458000     -0.5259000    


%chk=000025652-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025652

0 1
O 3.632213 -2.004630 0.700136
N 2.843221 -0.507771 -0.891279
C -0.507868 -1.715361 0.439262
C -1.680405 -2.293344 -0.384064
C -0.395787 -0.191910 0.374521
C -2.966409 -1.474041 -0.151277
C -2.756053 -0.030054 -0.651292
C -1.464115 0.601559 -0.133866
C 0.787298 0.451504 0.859899
C -1.332743 2.013721 -0.167547
C 1.944611 -0.361733 1.419007
C 0.891072 1.863433 0.813119
C -0.163857 2.648284 0.296595
C 2.871378 -1.043895 0.382747
H 0.439936 -2.179178 0.105981
H -0.629486 -2.016994 1.501794
H -1.428405 -2.267989 -1.463648
H -1.832603 -3.354913 -0.113600
H -3.208332 -1.468426 0.930487
H -3.824795 -1.934049 -0.676054
H -3.614568 0.608606 -0.367573
H -2.733325 -0.037701 -1.761692
H -2.163582 2.616121 -0.556406
H 2.600386 0.284917 2.032753
H 1.601251 -1.171676 2.085599
H 1.798122 2.347856 1.195238
H -0.078471 3.740188 0.270749
H 2.208680 0.254548 -1.128903
H 3.462735 -0.898573 -1.600290


