%chk=000045325.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045325

0 1
 O   -1.642900      -1.265200      2.0600000E-02
 O   -1.092600      -3.495600      0.1665000    
 O    4.564000     -0.5310000      5.4200001E-02
 N   -6.081300      0.6672000     -0.1926000    
 C   -7.367000      0.5138000     -0.9002000    
 C   -8.032100       1.893100      -1.070100    
 C   -6.209900       1.320000       1.115000    
 C   -8.190200       2.632900      0.2550000    
 C   -6.855700       2.699800      0.9869000    
 C   -5.333400     -0.5822000     -8.4299996E-02
 C   -8.343200     -0.4942000     -0.2736000    
 C   -3.834200     -0.3021000     -6.7100003E-02
 C   -3.026200      -1.589600      2.3399999E-02
 C  -0.7809000      -2.316900      9.6900001E-02
 C   0.6272000      -1.846100      8.6700000E-02
 C    1.671200      -2.768400      0.1589000    
 C   0.9062000     -0.4819000      4.4000000E-03
 C    3.273000     -0.9622000      6.6399999E-02
 C    2.994200      -2.326500      0.1486000    
 C    2.229000     -3.9900001E-02 -5.7999999E-03
 C    4.777400      0.8771000     -3.1500001E-02
 C    6.252900       1.147700     -6.3400000E-02
 C    6.951700       1.345400       1.127500    
 C    6.925900       1.202000      -1.284000    
 C    8.323400       1.597400       1.097900    
 C    8.297400       1.453900      -1.313700    
 C    8.996100       1.651700     -0.1227000    
 H   -7.148200      0.1553000      -1.915300    
 H   -9.011100       1.788500      -1.552700    
 H   -7.417800       2.504700      -1.744600    
 H   -5.227800       1.466700       1.577400    
 H   -6.793600      0.7039000       1.810200    
 H   -8.566200       3.645900      7.3399998E-02
 H   -8.932500       2.127000      0.8829000    
 H   -7.001800       3.134500       1.982300    
 H   -6.177400       3.370200      0.4435000    
 H   -5.636300      -1.164000      0.7957000    
 H   -5.529200      -1.215100     -0.9601000    
 H   -8.622300     -0.2271000      0.7498000    
 H   -9.264800     -0.5480000     -0.8637000    
 H   -7.916100      -1.502000     -0.2525000    
 H   -3.551300      0.3405000      0.7747000    
 H   -3.537700      0.2458000     -0.9712000    
 H   -3.250100      -2.234900     -0.8343000    
 H   -3.274000      -2.123500      0.9484000    
 H    1.475100      -3.835400      0.2233000    
 H   0.1237000      0.2695000     -5.3100001E-02
 H    3.803500      -3.049400      0.2045000    
 H    2.370400       1.033500     -6.9200002E-02
 H    4.333800       1.285500     -0.9493000    
 H    4.345300       1.390000      0.8379000    
 H    6.439500       1.303400       2.085000    
 H    6.393500       1.047300      -2.218800    
 H    8.867700       1.750800       2.025100    
 H    8.821600       1.495400      -2.263900    
 H    10.06420       1.847500     -0.1459000    


%chk=000045325-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045325

0 1
O -1.686310 -1.101218 -0.059723
O -1.063627 -3.342735 0.112520
O 4.704176 -0.397958 0.000184
N -6.320670 0.608242 -0.154069
C -7.632647 0.416876 -0.848210
C -8.310197 1.799180 -1.034629
C -6.432869 1.294560 1.157183
C -8.463433 2.559726 0.302727
C -7.090586 2.681164 1.000289
C -5.473436 -0.605625 -0.117208
C -8.584575 -0.614728 -0.170806
C -3.963451 -0.267590 -0.110942
C -3.110776 -1.535820 -0.057657
C -0.736884 -2.130043 0.030185
C 0.654684 -1.612715 0.015883
C 1.723749 -2.547276 0.112528
C 0.952076 -0.231154 -0.090843
C 3.344144 -0.723839 -0.002328
C 3.055439 -2.111363 0.104079
C 2.286829 0.220078 -0.101174
C 5.066208 1.043984 -0.107990
C 6.571618 1.147350 -0.070233
C 7.248036 1.320059 1.162983
C 7.327844 1.063415 -1.265959
C 8.657476 1.405587 1.202448
C 8.737340 1.148028 -1.230584
C 9.404842 1.320245 0.004628
H -7.387946 0.025475 -1.857027
H -9.295410 1.661554 -1.520931
H -7.680370 2.401469 -1.717885
H -5.417329 1.413893 1.576739
H -7.016230 0.689105 1.898850
H -8.894477 3.562520 0.120426
H -9.172496 2.026431 0.967545
H -7.196445 3.154275 1.995852
H -6.424019 3.321928 0.390967
H -5.708447 -1.260019 0.761486
H -5.698127 -1.203455 -1.022944
H -8.912511 -0.287012 0.831557
H -9.489033 -0.758537 -0.790571
H -8.092533 -1.598577 -0.061956
H -3.712794 0.368529 0.758080
H -3.724256 0.312802 -1.019839
H -3.278926 -2.192619 -0.932135
H -3.296721 -2.131684 0.855835
H 1.481803 -3.611903 0.193862
H 0.128611 0.484487 -0.166531
H 3.890013 -2.814643 0.178076
H 2.489102 1.291331 -0.185916
H 4.657158 1.439941 -1.058926
H 4.603764 1.589796 0.738384
H 6.669539 1.381123 2.092741
H 6.811365 0.924774 -2.223460
H 9.170852 1.539256 2.160970
H 9.312847 1.081509 -2.160401
H 10.498114 1.388519 0.033267


