%chk=000005715.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005715

1 1
 O    4.739400       2.258700       1.372200    
 O   -4.635100       2.196000      -1.435500    
 O    6.925300       1.110300      9.5600002E-02
 O   -6.560600       1.614800      0.4833000    
 N   2.4499999E-02  -2.693200      6.2399998E-02
 C    1.382000      -2.127600      0.3681000    
 C   -1.076300      -1.733300      0.4136000    
 C    1.745000      -1.048100     -0.6460000    
 C   -2.302700      -1.995800     -0.4538000    
 C  -0.1799000      -4.039100      0.6972000    
 C    3.124200     -0.4701000     -0.4464000    
 C   -3.436000      -1.031100     -0.2064000    
 C    3.302600      0.6402000      0.3788000    
 C   -3.517800      0.1521000     -0.9405000    
 C    4.221200      -1.046400      -1.086900    
 C   -4.402300      -1.322600      0.7564000    
 C    4.577900       1.174300      0.5637000    
 C   -4.565900       1.043800     -0.7120000    
 C    5.496500     -0.5121000     -0.9023000    
 C   -5.450200     -0.4308000      0.9852000    
 C    5.674900      0.5981000     -7.7000000E-02
 C   -5.532200      0.7522000      0.2509000    
 C    3.567300       2.787200       1.989500    
 C   -3.608100       2.418400      -2.399900    
 C    7.992000      0.4625000     -0.5949000    
 C   -7.505700       1.242000       1.484400    
 H  -4.6000001E-03  -2.849300     -0.9543000    
 H    2.102400      -2.951900      0.3086000    
 H    1.369700      -1.750600       1.397500    
 H  -0.7309000     -0.7088000      0.2566000    
 H   -1.295500      -1.844700       1.482400    
 H    1.683200      -1.461600      -1.662000    
 H    1.031100     -0.2178000     -0.6377000    
 H   -2.025500      -1.950400      -1.515600    
 H   -2.679000      -3.014200     -0.2992000    
 H   0.6151000      -4.703100      0.3466000    
 H   -1.146100      -4.438100      0.3826000    
 H  -0.1365000      -3.924300       1.783700    
 H    2.413300       1.042700      0.8522000    
 H   -2.736400      0.3259000      -1.672800    
 H    4.094100      -1.913100      -1.730400    
 H   -4.347000      -2.240700       1.335600    
 H    6.301100      -1.011600      -1.430800    
 H   -6.163300     -0.7226000       1.748400    
 H    2.855900       3.166000       1.247800    
 H    3.111200       2.064900       2.675200    
 H    3.880800       3.644300       2.594600    
 H   -3.820900       3.378900      -2.880900    
 H   -3.623300       1.658600      -3.188700    
 H   -2.624000       2.511200      -1.927800    
 H    8.124900     -0.5702000     -0.2545000    
 H    7.870300      0.5313000      -1.681300    
 H    8.912100       1.000500     -0.3437000    
 H   -8.040100      0.3250000       1.213400    
 H   -7.040900       1.176900       2.474100    
 H   -8.252400       2.041200       1.536100    


%chk=000005715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005715

1 1
O 4.743284 2.279349 1.372761
O -4.893159 2.133656 -1.382706
O 6.932085 1.092796 0.529733
O -6.396053 1.772346 0.743139
N 0.033015 -2.772894 -0.214913
C 1.398808 -2.107615 0.088903
C -1.151848 -1.839307 0.129467
C 1.819201 -1.081714 -0.986444
C -2.461208 -2.213209 -0.600018
C -0.089058 -4.119502 0.482577
C 3.188545 -0.510082 -0.630318
C -3.539137 -1.194176 -0.240566
C 3.285694 0.638626 0.202823
C -3.693215 -0.014761 -1.020605
C 4.368188 -1.134989 -1.082630
C -4.358114 -1.384142 0.890753
C 4.543448 1.157137 0.576513
C -4.653515 0.959884 -0.676438
C 5.637233 -0.627639 -0.714120
C -5.323400 -0.413301 1.250608
C 5.742682 0.511052 0.113647
C -5.480744 0.761552 0.483755
C 3.560918 3.008242 1.843180
C -4.126904 2.365156 -2.611400
C 8.189432 0.490025 0.064748
C -7.296708 1.602585 1.892340
H -0.002259 -2.936981 -1.240499
H 2.146841 -2.916684 0.148533
H 1.308281 -1.640646 1.084249
H -0.845472 -0.818125 -0.149224
H -1.275551 -1.880971 1.224985
H 1.866674 -1.583910 -1.973875
H 1.074002 -0.267227 -1.061231
H -2.286934 -2.217530 -1.695344
H -2.793950 -3.227081 -0.310064
H 0.695597 -4.795267 0.109075
H -1.079895 -4.553027 0.283148
H 0.039697 -3.964185 1.564381
H 2.372497 1.141828 0.539812
H -3.077542 0.125809 -1.916089
H 4.313558 -2.009294 -1.742732
H -4.267982 -2.297217 1.491672
H 6.540023 -1.120155 -1.085468
H -5.957392 -0.585060 2.124654
H 2.965698 3.397541 0.994373
H 2.926713 2.371337 2.490714
H 3.961938 3.846692 2.429324
H -4.496731 3.325195 -2.997354
H -4.313179 1.566920 -3.355827
H -3.041780 2.441957 -2.401318
H 8.289134 -0.552593 0.422426
H 8.262541 0.521363 -1.038979
H 8.978384 1.112945 0.508197
H -7.931558 0.704408 1.771065
H -6.728597 1.540688 2.840213
H -7.923428 2.504994 1.891795


