%chk=000032105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032105

0 1
 O   -4.348700       1.856100      0.1607000    
 O    1.965900      0.2694000      0.4589000    
 O   0.9398000      0.2819000      -1.610900    
 O   -4.291900      -3.191200     -0.1554000    
 N  -0.6863000       2.173000     -0.1290000    
 C  -0.3068000      0.8373000      0.3790000    
 C   -2.051600       2.519800      0.2775000    
 C   -3.057100       1.563900     -0.3688000    
 C   -1.384300     -0.2270000      0.2340000    
 C   -2.704000      0.1197000     -0.1106000    
 C   0.9172000      0.4334000     -0.3969000    
 C   0.2420000       3.210600      0.3370000    
 C   -1.079700      -1.574600      0.4960000    
 C   -3.668400     -0.8904000     -0.2586000    
 C    4.260000     -0.2567000      0.9377000    
 C    5.646800     -0.6520000      0.4052000    
 C    3.201600     -0.1180000     -0.1501000    
 C   -3.343900      -2.224700     -1.8300001E-02
 C   -2.052100      -2.565800      0.3675000    
 C    5.555300      -1.982100     -0.3461000    
 C    6.246300      0.4175000     -0.5090000    
 H  -7.7699997E-02  0.9020000       1.452200    
 H   -2.302200       3.540200     -4.1600000E-02
 H   -2.156900       2.511400       1.372100    
 H   -3.089300       1.720800      -1.454400    
 H    1.261800       3.022600     -1.4800000E-02
 H   0.2613000       3.285800       1.430200    
 H  -4.2800002E-02   4.188200     -6.8599999E-02
 H  -7.6899998E-02  -1.864100      0.8008000    
 H   -4.682600     -0.6374000     -0.5593000    
 H    4.332600      0.6873000       1.493000    
 H    3.920500     -0.9982000       1.672800    
 H    6.313000     -0.7824000       1.267100    
 H    3.487000      0.6500000     -0.8761000    
 H    3.042900      -1.069500     -0.6676000    
 H   -1.786300      -3.600100      0.5682000    
 H   -4.555300       2.779600     -6.3199997E-02
 H    5.025000      -1.889500      -1.299100    
 H    5.053100      -2.744000      0.2593000    
 H    6.560800      -2.353600     -0.5738000    
 H    5.686100      0.5265000      -1.442800    
 H    7.276900      0.1569000     -0.7738000    
 H    6.267600       1.390000     -6.3999998E-03
 H   -3.894300      -4.054600      5.0799999E-02


%chk=000032105-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032105

0 1
O -4.499549 1.471433 -0.524325
O 1.943967 0.350315 0.451400
O 1.133092 1.225234 -1.552557
O -3.767882 -3.363360 0.133324
N -0.927130 2.490167 0.073451
C -0.297276 1.237821 0.513333
C -2.386702 2.569842 0.232580
C -3.030932 1.463597 -0.629795
C -1.225646 0.016453 0.408095
C -2.527901 0.112116 -0.155171
C 0.967376 0.967573 -0.344388
C -0.175421 3.692086 0.457571
C -0.778857 -1.236643 0.889176
C -3.355356 -1.026962 -0.230955
C 4.103167 -0.692952 0.805599
C 5.497145 -1.136416 0.272521
C 3.201695 -0.052120 -0.252209
C -2.888537 -2.269820 0.243371
C -1.595732 -2.382114 0.809673
C 5.393050 -2.215743 -0.833549
C 6.356841 0.062287 -0.200512
H 0.063953 1.301046 1.569941
H -2.709983 3.565092 -0.128603
H -2.742929 2.459027 1.285845
H -2.715528 1.631099 -1.682246
H 0.860142 3.625668 0.077405
H -0.129333 3.854897 1.563378
H -0.639426 4.581877 -0.002533
H 0.221702 -1.314611 1.328049
H -4.368371 -0.938363 -0.628744
H 4.242243 0.030754 1.632233
H 3.578724 -1.571036 1.230959
H 6.018971 -1.597071 1.137395
H 3.645350 0.853568 -0.702453
H 2.932812 -0.747973 -1.066438
H -1.232857 -3.345859 1.189983
H -4.848709 2.259604 -1.011083
H 4.956286 -1.804898 -1.763040
H 4.764414 -3.066203 -0.508792
H 6.393522 -2.611824 -1.087573
H 5.934548 0.533565 -1.107925
H 7.382514 -0.267638 -0.448561
H 6.430158 0.839031 0.583634
H -3.353216 -4.184545 0.497338


