%chk=000096571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096571

0 1
 O   0.3186000      -1.420500     -0.4805000    
 O    1.249100       2.984700      0.4689000    
 N   0.8553000      0.7813000      3.8999999E-03
 N   -1.384300      0.1197000     -0.3650000    
 N   0.3551000       2.170100      0.2153000    
 C    2.273900      0.5379000      0.1077000    
 C   -2.431100     -0.8323000     -0.6636000    
 C    2.573300     -0.4457000       1.241900    
 C    2.831000      3.6100000E-02  -1.226600    
 C   -2.943400      -1.506100      0.6138000    
 C   -3.574600     -0.1690000      -1.438600    
 C    4.064300     -0.7594000       1.334700    
 C    4.321500     -0.2800000      -1.130700    
 C    4.618100      -1.257700      2.9000000E-03
 C   -3.771500     -0.5595000       1.482700    
 C   -4.401600      0.7756000     -0.5663000    
 C   -4.909500      7.9499997E-02  0.6925000    
 C  -4.4199999E-02 -0.2547000     -0.2930000    
 H    2.813100       1.462100      0.3448000    
 H   -1.997100      -1.608400      -1.306300    
 H    2.039400      -1.393600       1.121000    
 H    2.232500     -2.4900001E-02   2.196200    
 H    2.672100      0.7949000      -2.003200    
 H    2.320800     -0.8667000      -1.576600    
 H   -2.107700      -1.901300       1.203600    
 H   -3.568100      -2.364800      0.3365000    
 H   -4.235400     -0.9496000      -1.836800    
 H   -3.180400      0.3836000      -2.299900    
 H    4.235600      -1.513600       2.111200    
 H    4.608600      0.1423000       1.641500    
 H    4.881400      0.6490000     -0.9666000    
 H    4.672300     -0.6988000      -2.080800    
 H    5.700200      -1.408200      8.6499996E-02
 H    4.176500      -2.233800     -0.2330000    
 H   -3.125500      0.2256000       1.894200    
 H   -4.182100      -1.110800       2.336200    
 H   -5.254000       1.151200      -1.144100    
 H   -3.804000       1.650900     -0.2864000    
 H   -5.636800     -0.6928000      0.4131000    
 H   -5.438500      0.8010000       1.325200    
 H   -1.662000       1.062200     -0.1181000    


%chk=000096571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096571

0 1
O 0.227479 -1.534451 -0.498133
O 1.118210 2.950764 0.240630
N 0.826970 0.722924 -0.113597
N -1.434883 0.111944 -0.526234
N 0.285004 2.012018 -0.003500
C 2.283509 0.445363 0.041350
C -2.553073 -0.815780 -0.820107
C 2.577777 -0.447866 1.274427
C 2.906335 -0.134935 -1.254574
C -3.003142 -1.591148 0.449391
C -3.731868 -0.015411 -1.427586
C 4.107718 -0.616003 1.444665
C 4.433918 -0.305681 -1.068107
C 4.759302 -1.186747 0.162079
C -3.688669 -0.671222 1.485147
C -4.427658 0.900776 -0.389669
C -4.875837 0.098964 0.856669
C -0.148119 -0.331745 -0.391737
H 2.722170 1.447668 0.223085
H -2.174378 -1.546922 -1.559203
H 2.101435 -1.434023 1.128757
H 2.138170 0.011545 2.180504
H 2.695743 0.541853 -2.104772
H 2.439267 -1.111318 -1.474488
H -2.127511 -2.103409 0.887894
H -3.712794 -2.380776 0.128185
H -4.470690 -0.746626 -1.809977
H -3.378927 0.571505 -2.297567
H 4.311184 -1.279234 2.307178
H 4.565202 0.367165 1.680767
H 4.906334 0.690482 -0.940201
H 4.868307 -0.750374 -1.983980
H 5.855645 -1.264516 0.294810
H 4.380187 -2.213974 -0.013740
H -2.949293 0.053722 1.882679
H -4.036168 -1.272113 2.347162
H -5.296895 1.397811 -0.861016
H -3.744465 1.716546 -0.071748
H -5.662122 -0.625300 0.557708
H -5.332065 0.778000 1.602387
H -1.600407 1.116021 -0.407341


