%chk=000090178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090178

0 1
 O   0.3198000       3.644700      0.1326000    
 O   -3.082700      -1.096600     -0.6038000    
 O   -2.442400      0.9297000     -5.3500000E-02
 N   0.2472000     -4.7600001E-02 -7.0600003E-02
 N  -0.6519000      -1.999300      0.4905000    
 N   -2.185200     -0.2992000     -0.2062000    
 C    1.292100     -0.8516000      0.2885000    
 C   0.3419000       1.325100     -0.5139000    
 C    2.698700     -0.4147000      0.2723000    
 C  -0.8993000     -0.7797000      6.7000002E-02
 C   0.7123000      -2.050500      0.6311000    
 C   0.2599000       2.317300      0.6383000    
 C    3.389600     -0.6777000      -1.072400    
 H    1.286600       1.458100      -1.052500    
 H  -0.4230000       1.517400      -1.273900    
 H    2.797900      0.6451000      0.5293000    
 H    3.249400     -0.9584000       1.050600    
 H    1.206000      -2.949400      0.9714000    
 H  -0.6579000       2.211500       1.223300    
 H    1.098900       2.185100       1.329000    
 H    3.374600      -1.745100      -1.317700    
 H    4.433500     -0.3518000      -1.029400    
 H    2.895500     -0.1388000      -1.887000    
 H  -0.4412000       3.765800     -0.4604000    


%chk=000090178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090178

0 1
O 0.389392 3.723433 0.159374
O -3.216488 -1.198421 -0.208234
O -2.396732 0.918375 -0.503522
N 0.249442 -0.048468 -0.087286
N -0.651377 -2.061305 0.533602
N -2.249347 -0.353830 -0.229247
C 1.312412 -0.866820 0.316218
C 0.391956 1.359106 -0.526313
C 2.761099 -0.465924 0.265999
C -0.916058 -0.821601 0.070715
C 0.722584 -2.094379 0.691908
C 0.163130 2.357671 0.635128
C 3.406727 -0.673307 -1.133546
H 1.409719 1.497947 -0.925460
H -0.333905 1.556279 -1.329707
H 2.889427 0.587438 0.580140
H 3.304967 -1.079342 1.006631
H 1.224537 -2.983928 1.066128
H -0.853903 2.225995 1.050138
H 0.907052 2.200576 1.434584
H 3.334646 -1.729829 -1.444740
H 4.473871 -0.390526 -1.107364
H 2.910346 -0.059728 -1.906705
H -0.413198 4.039989 -0.325841


