%chk=000127154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127154

0 1
 O    3.042400      0.8043000     -0.3519000    
 O   -3.773800       2.115100      -1.034200    
 O   -5.600400       1.175200      0.6280000    
 O   -5.669400      -1.122900      0.5942000    
 N   0.3665000      2.4400000E-02 -0.7418000    
 N   -1.729500       1.050500     -0.8723000    
 N   -1.495100      -1.012500      0.2381000    
 C    3.612700       1.424100      0.7986000    
 C    4.588700       2.513500      0.3491000    
 C    2.492300       2.005200       1.650700    
 C    2.691900     -0.5080000     -0.2381000    
 C    1.360500     -0.9058000     -0.4309000    
 C    5.697900       1.964000     -0.5383000    
 C    3.674700      -1.448000      7.2600000E-02
 C    1.034000      -2.264100     -0.3063000    
 C  -0.9669000     -2.4499999E-02 -0.4304000    
 C    3.337000      -2.796000      0.1936000    
 C    2.016800      -3.204000      4.1999999E-03
 C   -3.089100       1.172700     -0.6506000    
 C   -3.666200      3.9600000E-02  0.1100000    
 C   -2.842500     -0.9469000      0.4891000    
 C   -5.082300     -5.5900000E-02  0.4666000    
 H    4.171800      0.7075000       1.413200    
 H    4.050500       3.281800     -0.2196000    
 H    5.032200       3.002800       1.224000    
 H    1.878200       2.701400       1.068800    
 H    1.821900       1.215000       2.005100    
 H    2.889500       2.533300       2.523000    
 H    5.298400       1.543300      -1.466300    
 H    6.262700       1.182800     -1.9800000E-02
 H    6.395000       2.764000     -0.8072000    
 H    4.712400      -1.153500      0.2026000    
 H   0.7191000      0.8909000      -1.138800    
 H   3.7000000E-02  -2.645200     -0.5011000    
 H    4.103500      -3.529100      0.4274000    
 H    1.757500      -4.255700      8.4200002E-02
 H   -1.262900       1.790400      -1.388400    
 H   -3.219900      -1.795200       1.053000    
 H   -6.550600       1.148000      0.8704000    


%chk=000127154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127154

0 1
O 2.837768 0.719582 0.464794
O -3.400478 2.656161 -0.573594
O -5.856389 1.307704 -0.921547
O -5.836299 -1.005230 -0.784179
N 0.371812 0.017095 0.153579
N -1.592315 1.248661 -0.218270
N -1.698159 -1.135642 -0.121151
C 4.193683 1.295970 0.714911
C 4.171518 2.695427 0.078563
C 4.478572 1.319893 2.225025
C 2.636847 -0.673780 0.533951
C 1.272380 -1.066760 0.350463
C 4.031578 2.674364 -1.457319
C 3.635873 -1.644483 0.742284
C 0.927896 -2.436414 0.374306
C -0.982690 0.012153 -0.062062
C 3.280714 -3.014733 0.763662
C 1.936958 -3.404602 0.581248
C -3.009675 1.465123 -0.456033
C -3.748752 0.200140 -0.515318
C -3.043419 -1.004367 -0.343455
C -5.204333 0.086636 -0.744311
H 4.932126 0.663163 0.180552
H 3.343545 3.273216 0.534490
H 5.110182 3.208647 0.365772
H 3.768203 1.991600 2.738620
H 4.390516 0.316392 2.675114
H 5.502721 1.691304 2.411697
H 3.107561 2.153277 -1.763244
H 4.884780 2.151225 -1.928340
H 3.998789 3.700123 -1.865740
H 4.680140 -1.353984 0.887009
H 0.859629 0.921456 0.184249
H -0.117454 -2.712991 0.229455
H 4.058844 -3.768058 0.925165
H 1.664769 -4.464719 0.599885
H -1.056691 2.123334 -0.173309
H -3.610693 -1.940009 -0.389270
H -6.823557 1.115628 -1.067152


