%chk=000048860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048860

0 1
 O   -3.377800     -0.6624000     -0.8183000    
 O   -3.918900      0.7077000       1.071500    
 N    1.956900      -2.972000      9.1799997E-02
 N    4.328100       1.071800     -0.1671000    
 N  -0.3440000       1.109700      0.2898000    
 N    3.167000     -0.9674000     -4.0800001E-02
 N    1.989600       1.121000      6.0100000E-02
 N   0.7789000     -0.9463000      0.1928000    
 C   -1.607500      0.4254000      0.4191000    
 C   0.9887000      -3.739500     -0.6776000    
 C   0.9329000      -3.702600      0.8261000    
 C    4.504100       2.397200      0.4407000    
 C    4.437800       2.250800      -1.035800    
 C   -2.085600     -7.3200002E-02 -0.9386000    
 C   -2.648900       1.353500       1.030200    
 C   -4.343900      0.1991000     -0.2005000    
 C    1.968100      -1.559800      8.0600001E-02
 C    3.100500      0.3737000     -4.3299999E-02
 C   0.8557000      0.4001000      0.1761000    
 C  -0.3429000       2.570400      0.2941000    
 C   -4.779100       1.327600      -1.143000    
 C   -5.559500     -0.6848000      9.2399999E-02
 H   -1.530400     -0.4375000       1.095600    
 H    1.419300      -4.606700      -1.155600    
 H   0.2734000      -3.162100      -1.244000    
 H   0.1619000      -3.119000       1.306000    
 H    1.326600      -4.545400       1.375000    
 H    5.472200       2.516900      0.9049000    
 H    3.654100       2.798400      0.9718000    
 H    3.535200       2.534400      -1.556400    
 H    5.358900       2.268400      -1.599700    
 H   -2.112300      0.7283000      -1.685900    
 H   -1.416900     -0.8431000      -1.336800    
 H   -2.381900       1.604100       2.063200    
 H   -2.791900       2.297500      0.4985000    
 H  -0.5752000       2.961200       1.290300    
 H   -1.052900       2.966100     -0.4403000    
 H   0.6213000       3.005300      9.1000004E-03
 H   -3.951900       1.996400      -1.398200    
 H   -5.158200      0.9246000      -2.088400    
 H   -5.553600       1.948800     -0.6801000    
 H   -5.954000      -1.140400     -0.8224000    
 H   -5.281400      -1.504000      0.7663000    
 H   -6.357300     -0.1191000      0.5857000    


%chk=000048860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048860

0 1
O -3.772874 -0.267309 -1.038614
O -4.101527 0.361347 1.285090
N 1.790695 -2.771123 0.513530
N 4.143998 1.290804 0.295094
N -0.570480 1.296565 0.266230
N 3.017097 -0.774762 0.294804
N 1.794273 1.340358 0.241227
N 0.574619 -0.769112 0.335081
C -1.848011 0.551443 0.301147
C 2.550514 -3.765297 -0.266348
C 1.008161 -3.763871 -0.246531
C 4.580821 2.378668 -0.601369
C 5.344091 1.040954 -0.524353
C -2.504334 0.480978 -1.101925
C -2.858545 1.152996 1.304260
C -4.735462 0.265010 -0.049625
C 1.791758 -1.391524 0.359042
C 2.941255 0.594941 0.257006
C 0.630542 0.605810 0.284179
C -0.577592 2.769080 0.190947
C -5.306039 1.627156 -0.500680
C -5.806126 -0.813649 0.093005
H -1.613905 -0.478718 0.613241
H 3.101447 -4.511337 0.314654
H 3.053502 -3.415055 -1.175598
H 0.482070 -3.412041 -1.142111
H 0.470784 -4.509075 0.347993
H 4.990915 3.268451 -0.113567
H 3.973331 2.571113 -1.494068
H 5.244458 0.343206 -1.364328
H 6.292676 0.986105 0.018644
H -2.668492 1.498091 -1.519258
H -1.870148 -0.091288 -1.797187
H -2.486456 1.076467 2.338860
H -3.075972 2.218341 1.080772
H -0.891590 3.222814 1.150060
H -1.259986 3.116042 -0.606555
H 0.447624 3.101112 -0.027686
H -4.527851 2.400377 -0.616561
H -5.815530 1.507262 -1.471967
H -6.037443 1.984724 0.244082
H -6.304790 -0.983110 -0.875586
H -5.331182 -1.751435 0.421590
H -6.555094 -0.508408 0.842280


