%chk=000030596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030596

0 1
 O   -2.743000     -0.9921000      -1.104500    
 O   0.6188000      0.5321000     -7.3399998E-02
 O    2.888300      -3.502200      0.3700000    
 O    5.128500      0.4434000      0.9897000    
 O   -4.718800      -1.377600      1.2100000E-02
 N    1.645100      -1.527300      0.2929000    
 N    3.969800      -1.521300      0.7287000    
 C   0.4721000      -2.248400     -0.1384000    
 C   8.7899998E-02  -1.854200      -1.566700    
 C  -0.6863000      -2.018600      0.8347000    
 C   -2.345100      -2.360600      -1.054600    
 C   -1.183600      -2.569200      -2.025900    
 C   -1.956800      -2.735200      0.3763000    
 C    2.717300      0.5225000       1.102900    
 C    1.562600     -0.1278000      0.3631000    
 C    2.825600      -2.274200      0.4739000    
 C    2.809800       2.014000      0.7848000    
 C    4.055500     -0.1519000      0.9138000    
 C    3.213000       2.244900     -0.6684000    
 C   -3.795000     -0.6479000     -0.3128000    
 C    3.273300       3.737700     -0.9911000    
 C   -3.683400      0.7673000      0.1219000    
 C    3.641500       3.978700      -2.446400    
 C   -4.218400       1.135000       1.339500    
 C   -3.047500       1.670900     -0.7048000    
 C   -4.113300       2.464500       1.748200    
 C   -2.942500       3.000400     -0.2960000    
 C   -3.475400       3.397100      0.9306000    
 H   0.6750000      -3.326500     -0.1445000    
 H   0.9080000      -2.112100      -2.249200    
 H  -7.9999998E-02 -0.7837000      -1.700500    
 H  -0.9195000     -0.9574000      0.9667000    
 H  -0.4064000      -2.388600       1.829400    
 H   -3.188300      -2.978600      -1.387700    
 H   -1.456500      -2.197200      -3.020700    
 H  -0.9777000      -3.642200      -2.122600    
 H   -2.754500      -2.526900       1.096000    
 H   -1.781600      -3.818100      0.4194000    
 H    2.477300      0.4205000       2.170800    
 H    1.849300       2.504700      0.9863000    
 H    3.544900       2.490800       1.445700    
 H    4.848700      -2.031700      0.7311000    
 H    2.498500       1.768200      -1.348800    
 H    4.192300       1.805500     -0.8850000    
 H    2.302000       4.203200     -0.7867000    
 H    4.011400       4.229000     -0.3465000    
 H    3.679400       5.052500      -2.654700    
 H    4.622700       3.552800      -2.678600    
 H    2.903400       3.528500      -3.117900    
 H   -4.713700      0.4172000       1.986500    
 H   -2.634600       1.390200      -1.669100    
 H   -4.527300       2.773400       2.703600    
 H   -2.447600       3.727400     -0.9334000    
 H   -3.393700       4.432300       1.248800    


%chk=000030596-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030596

0 1
O -2.692223 -0.715976 -0.592666
O 0.573200 0.780642 0.890146
O 3.129318 -3.010318 -0.174400
O 5.214221 0.405994 2.150930
O -4.853277 -1.549755 -0.288587
N 1.813541 -1.106423 0.278439
N 4.111977 -1.258781 0.975808
C 0.620898 -1.786778 -0.350328
C 0.055353 -0.970305 -1.539048
C -0.452673 -2.130539 0.712774
C -2.224136 -2.039192 -1.123452
C -1.148189 -1.710585 -2.169967
C -1.650034 -2.854032 0.053524
C 2.940206 0.881367 1.372789
C 1.683988 0.184054 0.845781
C 3.018198 -1.857987 0.319243
C 3.282082 2.123325 0.472892
C 4.177530 0.016899 1.554148
C 3.669897 1.778291 -0.981203
C -4.015343 -0.622203 -0.152490
C 4.017103 3.043785 -1.798722
C -4.285605 0.702379 0.480502
C 4.399694 2.726074 -3.259935
C -5.629846 1.030293 0.796280
C -3.238925 1.611175 0.791412
C -5.929385 2.264485 1.408118
C -3.545590 2.842173 1.409542
C -4.887481 3.172779 1.715283
H 1.029819 -2.735018 -0.745461
H 0.847741 -0.827098 -2.298325
H -0.274621 0.021965 -1.193112
H -0.805538 -1.205691 1.197527
H -0.007115 -2.778591 1.490885
H -3.095293 -2.552424 -1.569133
H -1.587669 -1.093184 -2.973983
H -0.819496 -2.664668 -2.629215
H -2.442932 -3.040434 0.800230
H -1.336025 -3.842548 -0.338953
H 2.677922 1.284328 2.369262
H 2.396274 2.785035 0.482667
H 4.113466 2.659570 0.967263
H 4.948846 -1.848573 1.038332
H 2.836612 1.243576 -1.481912
H 4.542375 1.093249 -0.991099
H 3.150594 3.735608 -1.783143
H 4.852950 3.577871 -1.303226
H 4.640178 3.647143 -3.821273
H 5.284162 2.063209 -3.304936
H 3.570731 2.216866 -3.786684
H -6.416663 0.307212 0.556721
H -2.202957 1.344389 0.561571
H -6.967559 2.518870 1.647595
H -2.738828 3.540875 1.655966
H -5.119972 4.130820 2.194126


