%chk=000105744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105744

0 1
 O    2.941000      -1.385200      0.3172000    
 O    3.431000       1.291800     -0.2454000    
 O   -3.243000      7.5199999E-02   1.172000    
 O   -3.547500      0.8067000      -1.014300    
 N   -2.089800      -1.952800     -0.7625000    
 C  -0.4410000     -0.1987000     -0.4019000    
 C    1.917600     -0.5488000     -1.2200000E-02
 C   0.6152000      -1.045700     -6.6100001E-02
 C    2.163500      0.7950000     -0.2942000    
 C  -0.1948000       1.145100     -0.6838000    
 C    1.107300       1.642000     -0.6299000    
 C   -1.799100     -0.7161000     -0.4565000    
 C   -2.986400      0.1677000     -0.1465000    
 C    2.605300      -2.744000      0.5910000    
 C    3.874300       1.815100       1.005200    
 C   -4.353700      0.8525000       1.627800    
 H   0.3712000      -2.079800      0.1521000    
 H  -0.9971000       1.825300     -0.9553000    
 H    1.292200       2.689300     -0.8529000    
 H    3.538700      -3.263400      0.8323000    
 H    2.184400      -3.241900     -0.2892000    
 H    1.958200      -2.830900       1.470500    
 H    3.855500       1.038700       1.776600    
 H    3.250900       2.662000       1.308900    
 H    4.903600       2.163900      0.8852000    
 H   -3.104700      -2.100300     -0.7377000    
 H   -4.460100      0.6958000       2.704500    
 H   -5.273500      0.5263000       1.132700    
 H   -4.173000       1.916100       1.443800    


%chk=000105744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105744

0 1
O 3.076880 -1.177145 0.241550
O 3.467339 1.652815 -0.308769
O -4.215356 -0.296778 0.568025
O -3.119527 1.676832 0.044390
N -1.947884 -1.721799 0.725273
C -0.466431 0.139663 0.244890
C 1.961879 -0.318327 0.186297
C 0.637885 -0.753157 0.358189
C 2.220488 1.068407 -0.086550
C -0.206240 1.505183 -0.053448
C 1.119890 1.947060 -0.209915
C -1.821940 -0.438352 0.443583
C -3.061830 0.456758 0.320420
C 2.814442 -2.598523 0.486844
C 4.697952 1.096586 0.289316
C -5.496427 0.441443 0.479351
H 0.402345 -1.799489 0.571796
H -1.029803 2.213514 -0.153057
H 1.341415 2.995900 -0.429270
H 3.804462 -3.078066 0.476293
H 2.178045 -3.030025 -0.309167
H 2.330862 -2.754415 1.470232
H 4.993100 0.160392 -0.207826
H 4.561108 0.911682 1.369753
H 5.452614 1.882503 0.130461
H -2.944457 -1.996384 0.839022
H -6.269428 -0.309010 0.694170
H -5.620253 0.865784 -0.530980
H -5.514929 1.257852 1.220528


