%chk=000005044.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005044

0 1
 O    4.169800     -0.5752000      0.2855000    
 O   -4.319200      -1.549800      -1.509400    
 O    2.843400      -1.129800       2.076500    
 N    2.668300      -2.225400      3.9099999E-02
 N   -3.932700      0.1658000      4.3900002E-02
 N   -4.287000       2.463400       1.679200    
 C   0.2529000      -2.580900      0.1077000    
 C    1.613900      -3.149200      0.3888000    
 C   -2.267700      -1.531000     -0.4131000    
 C  -0.4076000      -1.857600       1.093800    
 C  -0.3332000      -2.784800      -1.135900    
 C   -1.672600      -1.330800      0.8325000    
 C   -1.598100      -2.257900      -1.397300    
 C   -3.585800     -0.9799000     -0.6857000    
 C   -5.143500      0.9002000      8.8999998E-03
 C   -5.308000       2.018300      0.8101000    
 C    5.846300       1.125500      0.2453000    
 C    4.806800      0.4338000       1.077300    
 C   -6.148300      0.4695000     -0.8427000    
 C    3.192200      -1.295500      0.9123000    
 C   -6.509500       2.724800      0.7588000    
 C   -7.349900       1.176200     -0.8942000    
 C    7.148500      0.6384000      0.2255000    
 C    5.498400       2.247600     -0.4983000    
 C   -7.530400       2.303900     -9.3500003E-02
 C    8.115100       1.281700     -0.5476000    
 C    6.464800       2.890900      -1.271600    
 C    7.773200       2.407900      -1.296100    
 H    1.704000      -3.418600       1.448000    
 H    1.775700      -4.067400     -0.1873000    
 H   4.0700000E-02  -1.704600       2.071300    
 H   0.1807000      -3.347000      -1.910600    
 H   -2.170000     -0.8064000       1.643100    
 H   -2.041400      -2.420400      -2.376300    
 H    3.036100      -2.252300     -0.9072000    
 H   -3.224600      0.5630000      0.6496000    
 H    5.270800     -2.5900001E-02   1.958800    
 H    4.058900       1.156300       1.427400    
 H   -6.095200     -0.3884000      -1.494600    
 H   -6.663900       3.605600       1.377100    
 H   -8.145900      0.8497000      -1.557400    
 H    7.425200     -0.2393000      0.8031000    
 H    4.481800       2.631100     -0.4881000    
 H   -8.465900       2.854100     -0.1337000    
 H    9.133700      0.9054000     -0.5673000    
 H    6.198500       3.767500      -1.854900    
 H    8.525600       2.908600      -1.898400    
 H   -3.414500       1.966800       1.776400    
 H   -4.447900       3.282600       2.251200    


%chk=000005044-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005044

0 1
O 4.504597 -0.605158 0.283402
O -4.532697 -1.599125 -1.592767
O 3.545528 -1.591012 2.205022
N 2.701249 -1.965809 0.039860
N -4.295351 0.101050 0.006700
N -4.935033 1.794030 2.043491
C 0.226615 -2.354396 0.113693
C 1.622727 -2.878499 0.439072
C -2.413984 -1.406205 -0.417597
C -0.140657 -1.023350 0.435510
C -0.736076 -3.196128 -0.496442
C -1.442954 -0.553024 0.174164
C -2.038357 -2.728369 -0.762920
C -3.827345 -0.981681 -0.733073
C -5.526468 0.796535 -0.121873
C -5.829254 1.719854 0.930752
C 6.380741 0.932969 0.309812
C 5.515183 0.052423 1.176992
C -6.405257 0.665869 -1.225137
C 3.569326 -1.414758 0.957587
C -6.962417 2.556851 0.812601
C -7.543528 1.497025 -1.314116
C 7.656446 0.490043 -0.119426
C 5.930150 2.217792 -0.087292
C -7.812102 2.457628 -0.312114
C 8.468561 1.313195 -0.932054
C 6.736784 3.041824 -0.902016
C 8.009515 2.591137 -1.325836
H 1.734934 -3.017663 1.531106
H 1.769010 -3.868595 -0.034960
H 0.602201 -0.354664 0.884765
H -0.463958 -4.223911 -0.766634
H -1.676154 0.494411 0.402687
H -2.785520 -3.364678 -1.248061
H 2.826294 -1.719352 -0.942888
H -3.675994 0.511147 0.715241
H 6.096605 -0.739735 1.680927
H 4.965780 0.623090 1.947209
H -6.178197 -0.074352 -1.994543
H -7.189729 3.269149 1.615362
H -8.215448 1.396035 -2.172939
H 8.013120 -0.502469 0.181730
H 4.944070 2.568669 0.240106
H -8.689175 3.109013 -0.390599
H 9.454042 0.960317 -1.255594
H 6.378352 4.032527 -1.202911
H 8.638095 3.231662 -1.954658
H -4.792925 0.932787 2.579472
H -5.018846 2.626397 2.629187


