%chk=000104833.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104833

0 1
 O  -0.2898000       1.060700      -2.031800    
 O   -1.461600      -2.165600       1.190700    
 O   -1.764000      0.9366000       1.487400    
 N   0.4866000      -1.612500      2.1000000E-02
 C   0.9980000     -0.6938000     -0.9760000    
 C    2.122700      0.1633000     -0.4357000    
 C   -1.430800     -0.3841000     -0.4626000    
 C  -0.2477000      0.1157000      -1.253700    
 C    1.683300      0.8724000      0.8640000    
 C  -0.8538000      -1.497200      0.3686000    
 C    3.384500     -0.6845000     -0.2228000    
 C   -2.112100      0.6729000      0.3375000    
 C    2.729600       1.812800       1.444900    
 C   -3.245100       1.403200     -0.3313000    
 H    1.269900      -1.268200      -1.866500    
 H    2.364200      0.9334000      -1.180500    
 H   -2.139900     -0.8477000      -1.157700    
 H    1.422100      0.1445000       1.641000    
 H   0.7902000       1.477100      0.6750000    
 H    1.073700      -2.330700      0.4337000    
 H    3.263600      -1.390700      0.6050000    
 H    4.250000     -5.1800001E-02 -2.2000000E-03
 H    3.625400      -1.255700      -1.126000    
 H    2.311300       2.361100       2.295400    
 H    3.057500       2.543900      0.6992000    
 H    3.605700       1.265900       1.805300    
 H   -3.647400       2.158500      0.3497000    
 H   -2.884500       1.901800      -1.234000    
 H   -4.040200      0.6967000     -0.5820000    


%chk=000104833-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104833

0 1
O -0.348998 0.992462 -2.122730
O -1.577224 -2.513130 0.989715
O -1.778344 0.745185 1.589214
N 0.431866 -1.729493 0.035291
C 0.954245 -0.729532 -0.909088
C 2.107287 0.177993 -0.368716
C -1.516698 -0.506439 -0.504773
C -0.317881 0.054578 -1.294810
C 1.703341 0.930182 0.925999
C -0.936558 -1.699799 0.278715
C 3.395175 -0.662224 -0.195824
C -2.136367 0.602907 0.397832
C 2.764352 1.941857 1.410418
C -3.134972 1.503121 -0.301239
H 1.329776 -1.220728 -1.834208
H 2.279431 0.926799 -1.170452
H -2.298730 -0.842091 -1.210483
H 1.488863 0.197494 1.728217
H 0.754520 1.474382 0.752006
H 1.017113 -2.453025 0.455190
H 3.299070 -1.382040 0.640571
H 4.260720 -0.016093 0.028619
H 3.634799 -1.229802 -1.115042
H 2.383980 2.512965 2.276379
H 3.018673 2.667130 0.614125
H 3.698532 1.444471 1.728189
H -3.432046 2.334196 0.356253
H -2.689925 1.894736 -1.236578
H -4.032600 0.921939 -0.587190


