%chk=000019588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019588

0 1
 O    1.055600      0.1935000     -0.9293000    
 O    2.030100      0.7292000       1.112700    
 N    3.262700     -0.3055000     -0.5584000    
 C  -0.7775000      -1.528100      0.4274000    
 C   -1.817500      -2.453400     -0.2367000    
 C   -1.050700     -5.3199999E-02  0.1875000    
 C  -0.6881000      -1.820000       1.930300    
 C  -0.1169000      0.7194000     -0.4762000    
 C   -1.832600      -2.342400      -1.756500    
 C   -2.241300      0.4769000      0.6484000    
 C  -0.3830000       2.072400     -0.6870000    
 C   -2.507500       1.829700      0.4375000    
 C   -1.578300       2.627500     -0.2301000    
 C    2.122700      0.2479000     -1.2800000E-02
 C    4.522100     -0.3938000      0.1432000    
 H   0.1960000      -1.807000      6.8999999E-03
 H   -2.826000      -2.258200      0.1465000    
 H   -1.585400      -3.493900      2.4000000E-02
 H   -1.646600      -1.671700       2.439200    
 H  -0.3830000      -2.858300       2.101400    
 H   5.2200001E-02  -1.172900       2.413900    
 H   -2.527200      -3.075600      -2.178900    
 H   -2.156800      -1.350400      -2.085000    
 H  -0.8398000      -2.538200      -2.174000    
 H   -2.977600     -0.1257000       1.170900    
 H   0.3358000       2.700000      -1.207100    
 H   -3.438000       2.262200      0.7934000    
 H   -1.785600       3.680800     -0.3943000    
 H    3.213100     -0.6721000      -1.503900    
 H    4.801000      -1.448100      0.2115000    
 H    4.451900      3.6899999E-02   1.144800    
 H    5.275200      0.1422000     -0.4393000    


%chk=000019588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019588

0 1
O 1.127966 0.391179 -0.891600
O 2.038697 0.296860 1.306173
N 3.283069 -0.246683 -0.617643
C -0.730326 -1.508735 0.472864
C -1.755487 -2.470818 -0.195889
C -1.058667 -0.038501 0.202238
C -0.627867 -1.769243 2.000117
C -0.145893 0.851727 -0.415739
C -1.783949 -2.375955 -1.736373
C -2.317892 0.502892 0.574461
C -0.456045 2.203425 -0.669274
C -2.650957 1.852705 0.334266
C -1.718064 2.709824 -0.295067
C 2.161245 0.154996 0.067639
C 4.539480 -0.567126 0.063580
H 0.257549 -1.730576 0.025222
H -2.768577 -2.273477 0.209337
H -1.498261 -3.505544 0.108129
H -1.596664 -1.582325 2.500638
H -0.343047 -2.820505 2.194182
H 0.131487 -1.108852 2.452298
H -2.509124 -3.090647 -2.167378
H -2.068467 -1.360944 -2.068224
H -0.789062 -2.601794 -2.164769
H -3.050557 -0.151167 1.061681
H 0.292397 2.837451 -1.155113
H -3.632430 2.235528 0.635165
H -1.967111 3.758708 -0.488448
H 3.214889 -0.300765 -1.634175
H 4.841420 -1.614699 -0.121238
H 4.383549 -0.430725 1.145417
H 5.355697 0.103886 -0.262479


