%chk=000048811.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048811

0 1
 O  -0.4265000     -0.7308000       2.327700    
 O  -0.6175000       1.178900      -1.957900    
 O   -3.370200      -2.310800     -0.8178000    
 N   -1.965000      -1.453200      0.7869000    
 N   -2.059900     -0.4996000      -1.354100    
 C  -0.8366000      0.6921000      0.4075000    
 C   0.5904000       1.231200      0.5842000    
 C    1.635200      0.2127000      0.1251000    
 C   -1.842600       1.739000      0.9185000    
 C    3.054000      0.7718000      0.2687000    
 C    4.151300     -0.2222000     -0.1548000    
 C   -1.019000     -0.5576000       1.262900    
 C   -1.123100      0.4846000      -1.076400    
 C   -1.759700       3.011000      0.1054000    
 C    4.054600      -1.493400      0.6926000    
 C    4.071100     -0.5845000      -1.638600    
 C   -2.536300      -1.469200     -0.4798000    
 H   0.7767000       1.491200       1.634500    
 H   0.7585000       2.143400      2.0999999E-03
 H    1.540300     -0.7007000      0.7170000    
 H    1.459200     -6.1000001E-02 -0.9193000    
 H   -1.654300       1.967100       1.975500    
 H   -2.868800       1.352500      0.8671000    
 H    3.149300       1.685200     -0.3319000    
 H    3.223100       1.065900       1.312400    
 H    5.122900      0.2511000      3.3900000E-02
 H  -0.7817000       3.495000      0.1382000    
 H   -2.067200       2.881400     -0.9353000    
 H   -2.463500       3.738000      0.5296000    
 H   -2.208100      -2.225800       1.400700    
 H   -2.373000     -0.5692000      -2.318400    
 H    3.187300      -2.108200      0.4324000    
 H    4.943400      -2.114800      0.5348000    
 H    4.006800      -1.255400       1.760500    
 H    3.172800      -1.162000      -1.877900    
 H    4.936200      -1.191100      -1.928200    
 H    4.074600      0.3175000      -2.259200    


%chk=000048811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048811

0 1
O -0.708660 -0.509504 2.472597
O -0.869703 1.225965 -2.049987
O -3.207294 -2.598520 -0.841348
N -1.963259 -1.496526 0.804187
N -2.089147 -0.616587 -1.382899
C -0.906019 0.746343 0.366268
C 0.570332 1.220674 0.495787
C 1.618174 0.159414 0.090224
C -1.911513 1.860121 0.900508
C 3.056863 0.701253 0.262939
C 4.199060 -0.272706 -0.147344
C -1.147429 -0.458058 1.295057
C -1.248135 0.483149 -1.107461
C -1.796174 3.239803 0.223941
C 4.196118 -1.571405 0.695526
C 4.181234 -0.593745 -1.662123
C -2.478300 -1.635903 -0.496860
H 0.733946 1.519584 1.548271
H 0.695748 2.114220 -0.140640
H 1.489236 -0.747331 0.712558
H 1.455865 -0.132950 -0.965904
H -1.711498 1.952033 1.984939
H -2.947470 1.479849 0.793917
H 3.158136 1.634014 -0.330804
H 3.199844 0.987009 1.326253
H 5.150988 0.259329 0.066088
H -0.821465 3.715079 0.427188
H -1.920848 3.177997 -0.870339
H -2.582166 3.906157 0.624011
H -2.194021 -2.253988 1.455813
H -2.395692 -0.733229 -2.354558
H 3.306126 -2.190770 0.477111
H 5.089092 -2.185145 0.473923
H 4.196379 -1.348204 1.779106
H 3.287641 -1.183312 -1.940266
H 5.070274 -1.185825 -1.948890
H 4.178438 0.331812 -2.268190


