%chk=000054991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054991

0 1
 O   0.8830000       2.103800      -2.261200    
 O   -2.990000      -2.294300     -0.9026000    
 O   -2.128000      -3.016400       1.150500    
 N    3.124200      0.9526000     -0.9034000    
 N   -2.769200       2.912300      0.9428000    
 C    2.876900     -0.3583000       1.327100    
 C    1.896000       1.394600     -0.1913000    
 C    1.694300      0.6075000       1.123000    
 C    2.874300      -1.324100      0.1202000    
 C    4.165300      0.4844000       1.317500    
 C    3.093800     -0.5052000      -1.172500    
 C    4.287900       1.221600     -2.5699999E-02
 C   0.6534000       1.336900      -1.083500    
 C    3.879100      -2.427900      0.2625000    
 C  -0.5706000       1.858600     -0.3743000    
 C    3.563000      -3.726600      0.3052000    
 C   -1.706700       1.069800     -0.1901000    
 C  -0.5240000       3.159500      9.0400003E-02
 C   -2.802700       1.646400      0.4855000    
 C   -1.776300     -0.2548000     -0.6540000    
 C   -1.644700       3.636300      0.7394000    
 C   -3.940300      0.8661000      0.6735000    
 C   -2.926500      -1.012400     -0.4522000    
 C   -4.009600     -0.4508000      0.2124000    
 C   -2.546800      -3.252000      2.4800001E-02
 C   -2.655900      -4.627400     -0.5638000    
 H    2.770900     -0.8969000       2.275300    
 H    2.075600       2.447200      6.6500001E-02
 H   0.7668000      2.4800001E-02   1.127800    
 H    1.638900       1.305900       1.967300    
 H    1.871500      -1.772200      5.9700001E-02
 H    5.047500     -0.1417000       1.487900    
 H    4.133700       1.214000       2.136100    
 H    4.028600     -0.7895000      -1.674800    
 H    2.314300     -0.7451000      -1.904800    
 H    4.387900       2.300900      0.1452000    
 H    5.213400      0.9228000     -0.5339000    
 H   0.5280000      0.3205000      -1.440500    
 H    4.931000      -2.159900      0.3168000    
 H    1.702300       1.777400      -2.670900    
 H    4.339500      -4.477800      0.4006000    
 H    2.534100      -4.063700      0.2469000    
 H   0.3320000       3.808800     -5.0400000E-02
 H  -0.9709000     -0.7561000      -1.176300    
 H   -1.675300       4.650300       1.124400    
 H   -4.802500       1.282800       1.191200    
 H   -4.914700      -1.029200      0.3772000    
 H   -3.698100      -4.840200     -0.8136000    
 H   -2.314700      -5.363900      0.1692000    
 H   -2.023800      -4.699300      -1.452300    


%chk=000054991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054991

0 1
O 1.281040 2.360650 -2.096308
O -3.020954 -2.355229 -0.081218
O -0.740064 -2.929646 -0.263279
N 3.069609 0.974843 -0.659928
N -3.011833 3.257730 0.446864
C 2.713367 -0.671108 1.311612
C 1.754191 1.276630 0.019120
C 1.457797 0.229933 1.140339
C 2.880360 -1.494070 -0.010705
C 3.960824 0.218688 1.575038
C 3.118259 -0.437483 -1.163536
C 4.168653 1.167471 0.339175
C 0.690547 1.449715 -1.113336
C 3.984168 -2.524855 0.049345
C -0.615451 2.035417 -0.601855
C 3.800216 -3.864984 -0.057924
C -1.744404 1.214249 -0.232560
C -0.741447 3.422504 -0.464188
C -2.920037 1.879858 0.298445
C -1.756576 -0.213147 -0.371687
C -1.944178 3.985431 0.059775
C -4.052457 1.093017 0.690057
C -2.879076 -0.934754 0.033081
C -4.038306 -0.293781 0.566949
C -1.944223 -3.258809 -0.219969
C -2.493860 -4.664638 -0.298619
H 2.561249 -1.368201 2.154809
H 1.883205 2.282574 0.464775
H 0.587588 -0.404598 0.896051
H 1.224154 0.747450 2.088725
H 1.923635 -2.024082 -0.187989
H 4.853709 -0.408489 1.749457
H 3.799352 0.806804 2.498059
H 4.111166 -0.578315 -1.627836
H 2.372376 -0.560581 -1.967003
H 4.174147 2.229689 0.641992
H 5.126242 0.961467 -0.171988
H 0.502886 0.465298 -1.590404
H 5.009275 -2.138456 0.175169
H 2.268812 2.161583 -2.023352
H 4.639771 -4.568219 -0.015030
H 2.799024 -4.294121 -0.192783
H 0.079730 4.067503 -0.788194
H -0.900166 -0.737606 -0.791691
H -2.038051 5.072515 0.169209
H -4.922007 1.626062 1.085093
H -4.894145 -0.908974 0.859462
H -3.036735 -4.911390 0.630415
H -1.669800 -5.376657 -0.447400
H -3.215679 -4.744789 -1.129433


