%chk=000129928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129928

0 1
 O   -1.035700      0.6252000      0.9844000    
 O   0.1936000      -1.299400      0.9472000    
 O   0.1920000       2.953900      0.2843000    
 O    4.995600      -2.297700     -0.2149000    
 N   -4.546100      0.2601000     -0.9871000    
 N    1.163700      0.7490000      0.3616000    
 N    2.443500       2.547600     -0.2725000    
 C   -3.735900     -0.9644000      -1.128800    
 C   -4.760500      0.3409000      0.4702000    
 C   -4.385700      -1.967300     -0.1692000    
 C   -5.066400      -1.100300      0.8930000    
 C   -2.306500     -0.5910000     -0.6886000    
 C   -3.436600      0.8486000       1.075000    
 C   -2.252600     -7.5499997E-02  0.7573000    
 C   -5.796300      0.2017000      -1.740400    
 C   0.1182000     -8.5500002E-02  0.7790000    
 C    2.480000      0.3071000      6.8400003E-02
 C    1.136400       2.188500      0.1437000    
 C    3.241200       1.410400     -0.3141000    
 C    3.048900     -0.9523000      0.1091000    
 C    4.571900       1.320400     -0.6668000    
 C    4.399100      -1.071600     -0.2440000    
 C    5.153000      5.3100001E-02 -0.6284000    
 C    4.185300      -3.401600      0.1816000    
 H   -3.706000      -1.338100      -2.158500    
 H   -5.565800       1.031400      0.7447000    
 H   -3.662800      -2.660900      0.2724000    
 H   -5.141700      -2.566900     -0.6900000    
 H   -6.147000      -1.286300      0.8780000    
 H   -4.707100      -1.332100       1.900900    
 H   -1.658900      -1.468400     -0.8032000    
 H   -1.900100      0.1698000      -1.369500    
 H   -3.224800       1.860500      0.7029000    
 H   -3.531600      0.9507000       2.163400    
 H   -2.292400     -0.9243000       1.452500    
 H   -5.584500      0.1309000      -2.813000    
 H   -6.365800       1.126000      -1.593700    
 H   -6.441200     -0.6396000      -1.467000    
 H    2.757700       3.481800     -0.5053000    
 H    2.440900      -1.793000      0.4085000    
 H    5.147100       2.190200     -0.9616000    
 H    6.199700     -6.3400000E-02 -0.8983000    
 H    3.838500      -3.297500       1.215400    
 H    4.818300      -4.294600      0.1480000    
 H    3.361200      -3.570400     -0.5200000    


%chk=000129928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129928

0 1
O -1.000013 0.739246 0.100108
O 0.251945 -1.234711 0.224377
O 0.360548 3.121976 -0.124590
O 5.213882 -2.333863 0.177248
N -4.980330 0.218756 -0.917593
N 1.300621 0.856618 0.028456
N 2.683166 2.632652 -0.154659
C -4.154668 -0.986071 -1.254317
C -4.751306 0.327546 0.560180
C -4.476375 -2.033133 -0.122887
C -4.880726 -1.145283 1.103483
C -2.666873 -0.546252 -1.238263
C -3.327025 0.905244 0.768562
C -2.281403 -0.050046 0.170660
C -6.406629 0.097622 -1.299031
C 0.166083 0.016705 0.123764
C 2.644735 0.363252 0.029799
C 1.315887 2.319076 -0.089286
C 3.502080 1.488409 -0.085695
C 3.149085 -0.946754 0.121510
C 4.899052 1.335787 -0.112934
C 4.561061 -1.092302 0.093746
C 5.424007 0.029737 -0.021611
C 4.375071 -3.528752 0.300206
H -4.417723 -1.356232 -2.260236
H -5.493139 1.010438 1.008772
H -3.609779 -2.683348 0.092256
H -5.309778 -2.690231 -0.428406
H -5.918489 -1.353206 1.418719
H -4.232185 -1.315818 1.981397
H -2.008058 -1.381038 -1.539427
H -2.544862 0.283815 -1.956836
H -3.260478 1.879251 0.254065
H -3.121402 1.066936 1.842825
H -2.090211 -0.911926 0.836056
H -6.479101 0.008249 -2.397606
H -6.938240 1.018832 -1.001187
H -6.944910 -0.770880 -0.847774
H 2.991253 3.598334 -0.241414
H 2.462527 -1.788275 0.209002
H 5.567637 2.197553 -0.201619
H 6.503095 -0.146219 -0.037324
H 3.760176 -3.496233 1.220569
H 5.081140 -4.370327 0.353790
H 3.714453 -3.649433 -0.580253


