%chk=000103452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103452

0 1
 O   -4.389600     -0.8068000      0.2609000    
 O    2.200400       2.585900     -0.6908000    
 O   0.2181000       1.823600      -1.499300    
 O   -3.071800      0.7734000     -0.7843000    
 N   7.7900000E-02 -0.1212000      0.3544000    
 C    1.303000      0.6612000      0.3513000    
 C    2.520200     -0.2081000      0.1421000    
 C  -0.9362000      0.2987000       1.031100    
 C   -2.264500     -0.4208000       1.165700    
 C    2.407800      -1.362900     -0.6154000    
 C    3.727000      0.1652000      0.7120000    
 C    1.153700       1.719700     -0.7186000    
 C  -0.7848000       1.596200       1.789100    
 C    3.532200      -2.165700     -0.8082000    
 C    4.851200     -0.6375000      0.5189000    
 C   -3.259400     -5.9700001E-02  9.1899998E-02
 C    4.753800      -1.802900     -0.2412000    
 C   -5.432100     -0.5699000     -0.6907000    
 C   -6.607100      -1.468500     -0.3690000    
 H    1.464400       1.166600       1.309300    
 H   -2.697600     -0.2032000       2.146900    
 H   -2.063300      -1.495800       1.096400    
 H    1.472700      -1.660800      -1.080100    
 H    3.816400       1.070400       1.305800    
 H  -0.1341000       1.456500       2.656900    
 H  -0.4396000       2.419900       1.163100    
 H   -1.763400       1.902900       2.174800    
 H    3.457500      -3.071600      -1.402900    
 H    5.802600     -0.3550000      0.9601000    
 H    5.629400      -2.427500     -0.3922000    
 H   -5.743200      0.4795000     -0.6377000    
 H   -5.063100     -0.7896000      -1.698700    
 H   -7.424300      -1.313000      -1.078800    
 H   -6.307000      -2.521100     -0.4001000    
 H   -6.975900      -1.273000      0.6433000    
 H    2.112500       3.287000      -1.371300    


%chk=000103452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103452

0 1
O -3.961824 -0.804248 0.229853
O 1.994458 2.670218 -0.654402
O 0.262211 1.467336 -1.635690
O -3.882994 1.472311 0.708317
N -0.019967 0.034409 0.887180
C 1.255931 0.705269 0.534561
C 2.339310 -0.337154 0.204443
C -0.989930 0.711671 1.436703
C -2.257952 -0.085230 1.759945
C 1.976400 -1.626311 -0.251503
C 3.708068 0.005984 0.322902
C 1.072108 1.608958 -0.701076
C -1.023258 2.187015 1.798769
C 2.978442 -2.565803 -0.582694
C 4.708513 -0.935254 -0.006848
C -3.431859 0.312102 0.865686
C 4.345830 -2.224698 -0.462010
C -5.111433 -0.549869 -0.699435
C -5.512666 -1.902033 -1.278027
H 1.633906 1.360425 1.345132
H -2.559878 0.113164 2.807173
H -2.049393 -1.157076 1.635960
H 0.913864 -1.875718 -0.318946
H 3.989853 1.008926 0.665473
H -0.116853 2.735879 1.497867
H -1.905925 2.654145 1.324066
H -1.157554 2.303141 2.891715
H 2.692690 -3.564082 -0.933281
H 5.765811 -0.664714 0.092242
H 5.121165 -2.955800 -0.717955
H -5.923583 -0.072749 -0.121615
H -4.772527 0.162053 -1.473030
H -6.358157 -1.772288 -1.978008
H -4.672719 -2.358332 -1.828665
H -5.825567 -2.597134 -0.480251
H 1.919279 3.207591 -1.489851


