%chk=000002532.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002532

0 1
 O    1.621100     -0.2023000      -1.918600    
 O   -2.185900     -0.1424000      0.1090000    
 O    6.489000      0.4260000      -1.107400    
 O  -0.4130000      0.5096000       1.415400    
 N    3.170900     -0.1839000     -0.1892000    
 N  -0.2140000      -1.193000     -0.1488000    
 C    1.485800      -2.980100     -0.2735000    
 C    1.171900      -1.517900      6.8300001E-02
 C   0.6722000      -4.019900      0.5238000    
 C    4.108200      0.7413000     -0.7844000    
 C    4.325500       1.956400      0.1167000    
 C    1.995600     -0.5822000     -0.8110000    
 C    3.044800       2.771000      0.3272000    
 C   0.9460000      -3.851600       2.020900    
 C   0.9875000      -5.455300      0.1007000    
 C    3.304300       3.991900       1.210900    
 C    5.368800     -6.7699999E-02  -1.011300    
 C  -0.8915000     -0.2068000      0.5422000    
 C    2.043200       4.819400       1.402300    
 C   -3.008500      0.8431000      0.7437000    
 C   -4.388000      0.7815000      0.1566000    
 C   -4.708100       1.560500     -0.9553000    
 C   -5.350300     -5.5100001E-02  0.7224000    
 C   -5.990500       1.503200      -1.501200    
 C   -6.632500     -0.1125000      0.1762000    
 C   -6.952500      0.6667000     -0.9356000    
 H    2.558700      -3.162100     -0.1250000    
 H    1.301600      -3.145400      -1.344200    
 H    1.410400      -1.306100       1.116400    
 H  -0.3977000      -3.854400      0.3479000    
 H    3.742500       1.050700      -1.769500    
 H    5.095200       2.601900     -0.3250000    
 H    4.715200       1.632700       1.090900    
 H    3.411600     -0.5820000      0.7143000    
 H    2.272700       2.148700      0.7947000    
 H    2.654600       3.095700     -0.6450000    
 H   0.5566000      -2.901900       2.399400    
 H   0.4531000      -4.644600       2.594300    
 H    2.018200      -3.897900       2.239600    
 H    2.041800      -5.696600      0.2731000    
 H   0.3779000      -6.171800      0.6612000    
 H   0.7777000      -5.597700     -0.9645000    
 H  -0.7155000      -1.679000     -0.8866000    
 H    4.080300       4.620800      0.7593000    
 H    3.676400       3.669900       2.190500    
 H    5.228700      -1.145600      -1.208800    
 H    2.251100       5.685900       2.037800    
 H    1.255300       4.228500       1.880200    
 H    1.664500       5.184900      0.4424000    
 H   -3.048000      0.6526000       1.823500    
 H   -2.576300       1.839900      0.5911000    
 H   -3.966600       2.214500      -1.406300    
 H   -5.112300     -0.6685000       1.587400    
 H   -6.239600       2.109400      -2.367300    
 H   -7.381600     -0.7644000      0.6163000    
 H   -7.950800      0.6217000      -1.360900    


%chk=000002532-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002532

0 1
O 3.094629 -1.152785 -1.313912
O -1.912556 -1.179625 1.034177
O 4.945638 2.358260 1.644717
O 0.073958 -0.549555 2.150631
N 2.432756 0.039432 0.580522
N 0.091431 -1.898186 0.236725
C 1.802519 -3.537038 -0.491338
C 1.531340 -2.238026 0.291277
C 1.071308 -4.795841 0.046400
C 3.230611 1.233696 0.256213
C 2.414795 2.543666 0.221408
C 2.421585 -1.072344 -0.240742
C 1.414887 2.619243 -0.951771
C 1.483009 -5.136519 1.498974
C 1.347956 -5.993049 -0.894305
C 0.700685 3.987699 -1.027497
C 4.432458 1.300852 1.213259
C -0.526676 -1.157324 1.209532
C -0.338355 4.062290 -2.166246
C -2.722103 -0.361486 2.007445
C -3.142670 0.956405 1.399169
C -2.289396 2.087501 1.476536
C -4.396332 1.079423 0.748587
C -2.684072 3.318583 0.908468
C -4.792961 2.310590 0.180619
C -3.936385 3.433033 0.259972
H 2.894225 -3.714359 -0.477126
H 1.547020 -3.369916 -1.556458
H 1.786253 -2.374824 1.359856
H -0.023387 -4.605543 0.040690
H 3.656705 1.030756 -0.753105
H 3.137582 3.379750 0.163140
H 1.880147 2.669153 1.185362
H 1.793112 0.047571 1.393298
H 0.658717 1.813677 -0.857292
H 1.950450 2.434274 -1.905926
H 1.202049 -4.339728 2.211973
H 0.991283 -6.067551 1.835729
H 2.577509 -5.288414 1.569387
H 2.429157 -6.229639 -0.918475
H 0.811705 -6.898237 -0.555037
H 1.028683 -5.775122 -1.930715
H -0.483528 -2.286622 -0.512877
H 1.458906 4.786475 -1.158959
H 0.202356 4.190912 -0.057106
H 4.833539 0.294666 1.501017
H -0.813812 5.059510 -2.216188
H -1.138387 3.312702 -2.019811
H 0.134517 3.865443 -3.146965
H -3.586423 -1.010155 2.220193
H -2.108538 -0.222921 2.913911
H -1.320651 1.994161 1.982020
H -5.061586 0.209287 0.687039
H -2.022523 4.189396 0.975861
H -5.764883 2.396233 -0.317698
H -4.242556 4.389872 -0.177362


