%chk=000028738.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028738

0 1
 O   -1.340400      0.9055000       2.142100    
 O    8.604800      0.4484000      -1.116200    
 O   -5.569200      -2.272900     -0.4088000    
 O   -5.354800       2.511300     -0.4792000    
 O   -6.710800      0.1660000      -1.056900    
 N   0.6096000     -0.8107000       1.230000    
 N    3.273300     -0.4228000      0.2742000    
 C    1.499400      -1.960400       1.025000    
 C   0.8978000      0.2277000      0.2333000    
 C    2.967300      -1.550100       1.163900    
 C    2.346000      0.7106000      0.3446000    
 C  -0.7905000      -1.225100       1.149200    
 C    4.610900     -0.2046000     -7.4400000E-02
 C   -1.679600     -2.3100000E-02   1.411500    
 C    5.356400      -1.193400     -0.7471000    
 C    5.252300       1.010800      0.2365000    
 C   -3.018900      2.7000001E-02  0.7529000    
 C    6.689500     -0.9753000      -1.094800    
 C    6.585400       1.228900     -0.1114000    
 C    7.304100      0.2358000     -0.7770000    
 C   -3.555200       1.256000      0.4453000    
 C   -3.664000      -1.157300      0.4814000    
 C   -4.915900      -1.109900     -0.1321000    
 C   -4.807100       1.303200     -0.1682000    
 C   -5.487400      0.1203000     -0.4568000    
 C    9.170900       1.709000     -0.7608000    
 C   -5.322200      -2.868200      -1.681100    
 C   -6.171800       3.127500      0.5141000    
 C   -6.779900      0.7858000      -2.339000    
 H    1.335700      -2.407300      3.5000000E-02
 H    1.288100      -2.735300       1.771900    
 H   0.2672000       1.114800      0.3450000    
 H   0.7235000     -0.1582000     -0.7809000    
 H    3.588500      -2.424500      0.9380000    
 H    3.182000      -1.259700       2.200500    
 H    2.534200       1.414400     -0.4759000    
 H    2.484200       1.248100       1.291600    
 H   -1.014200      -1.971600       1.919900    
 H   -1.004400      -1.651600      0.1622000    
 H    4.894600      -2.140600      -1.016800    
 H    4.727500       1.802400      0.7659000    
 H    7.243400      -1.751600      -1.615700    
 H    7.001800       2.190600      0.1680000    
 H   -3.027900       2.180600      0.6620000    
 H   -3.243900      -2.123000      0.7445000    
 H    9.196300       1.846700      0.3255000    
 H    8.666100       2.535400      -1.272400    
 H    10.20980       1.705800      -1.106800    
 H   -5.918800      -3.781600      -1.753400    
 H   -5.618900      -2.191900      -2.488700    
 H   -4.264600      -3.132000      -1.781600    
 H   -5.586900       3.336700       1.415300    
 H   -6.545400       4.073100      0.1119000    
 H   -7.027000       2.490100      0.7604000    
 H   -5.827300      0.7319000      -2.877700    
 H   -7.534200      0.2561000      -2.928300    
 H   -7.101100       1.826000      -2.236000    


%chk=000028738-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028738

0 1
O -1.266517 1.535510 0.657707
O 9.301963 0.080306 0.072632
O -5.289429 -2.638255 -1.062308
O -6.385283 1.918061 0.401543
O -7.270662 -0.592176 -0.439957
N 0.736960 -0.458687 0.354322
N 3.617207 -0.307337 0.076505
C 1.570817 -1.683725 0.401010
C 1.366681 0.552355 -0.530084
C 2.977500 -1.345678 0.919219
C 2.781754 0.904130 -0.041343
C -0.658288 -0.756072 0.014214
C 5.033380 -0.164708 0.118208
C -1.649535 0.393852 0.267813
C 5.880435 -1.316273 0.074098
C 5.667986 1.108333 0.152901
C -3.105495 0.116767 0.027625
C 7.278086 -1.196818 0.067867
C 7.077193 1.235175 0.129411
C 7.890837 0.081158 0.092040
C -4.026377 1.165821 0.291198
C -3.582522 -1.129615 -0.434153
C -4.966326 -1.344108 -0.639762
C -5.403343 0.957437 0.108849
C -5.900873 -0.302327 -0.365202
C 9.964208 1.382305 0.099856
C -6.501862 -2.898029 -1.860039
C -5.933549 3.179349 1.001677
C -8.125178 0.290762 -1.266647
H 1.662199 -2.161224 -0.608800
H 1.100307 -2.412403 1.088053
H 0.748568 1.463965 -0.514733
H 1.431744 0.173421 -1.583097
H 3.590927 -2.260433 0.920298
H 2.891441 -0.990310 1.972415
H 3.239321 1.586208 -0.779413
H 2.702237 1.443322 0.931694
H -0.990292 -1.619327 0.624342
H -0.784179 -1.071560 -1.058017
H 5.441957 -2.317676 0.014175
H 5.070823 2.022304 0.217914
H 7.917534 -2.084367 0.027179
H 7.516362 2.237496 0.156221
H -3.618968 2.113391 0.653947
H -2.915798 -1.964752 -0.663812
H 9.721586 1.942273 1.025285
H 9.689909 1.996063 -0.781656
H 11.041803 1.161086 0.074399
H -6.354565 -3.916136 -2.253361
H -7.406884 -2.844641 -1.236224
H -6.585914 -2.181606 -2.699906
H -5.274868 3.739411 0.311203
H -6.853923 3.751777 1.188228
H -5.403129 2.996425 1.954921
H -7.795192 0.260525 -2.323739
H -9.137653 -0.130755 -1.175758
H -8.096823 1.323803 -0.887355


