%chk=000152570.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152570

0 1
 O   -6.512700     -0.3032000     -0.2001000    
 O   -5.881200     -0.3533000       1.973100    
 N  -0.3318000      0.1278000      -1.297000    
 N    3.432200      0.2873000      0.5399000    
 C   0.9442000      0.1817000     -0.6734000    
 C    1.642400      -1.003200     -0.4195000    
 C    1.491100       1.419400     -0.3201000    
 C    2.900700     -0.9023000      0.1976000    
 C    2.755400       1.425500      0.2930000    
 C    3.600900      -2.078400      0.4530000    
 C    1.116600      -2.260700     -0.7637000    
 C   0.8115000       2.625800     -0.5632000    
 C    3.081400      -3.329700      0.1121000    
 C   -1.630400      2.7000001E-02 -0.7807000    
 C    3.305400       2.654700      0.6471000    
 C    1.836700      -3.421500     -0.4975000    
 C    4.946100      -2.030100       1.109000    
 C    1.383200       3.841300     -0.1995000    
 C    2.632700       3.855400      0.4069000    
 C   -1.838200     -4.1999999E-02  0.6017000    
 C   -2.732600     -7.1999999E-03  -1.642200    
 C   -3.131100     -0.1439000       1.115500    
 C   -4.025500     -0.1089000      -1.128600    
 C   -4.224600     -0.1773000      0.2504000    
 C   -5.572500     -0.2847000      0.7860000    
 H  -0.2752000      0.1734000      -2.310200    
 H   0.1484000      -2.368200      -1.245800    
 H  -0.1649000       2.651300      -1.040000    
 H    3.637500      -4.240800      0.3164000    
 H    4.283400       2.692100       1.123600    
 H    1.428900      -4.391300     -0.7654000    
 H    5.373800      -3.029500       1.244000    
 H    5.648200      -1.454400      0.4966000    
 H    4.870300      -1.570500       2.100200    
 H   0.8569000       4.771700     -0.3894000    
 H    3.088000       4.798600      0.6945000    
 H   -1.005100     -1.8400000E-02   1.299300    
 H   -2.592500      4.4900000E-02  -2.719300    
 H   -3.265900     -0.1963000       2.192800    
 H   -4.847100     -0.1319000      -1.838900    
 H   -7.421000     -0.3756000      0.1635000    


%chk=000152570-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152570

0 1
O -6.714317 0.380097 -0.343130
O -6.026981 1.032474 1.778483
N -0.397773 -0.432822 -1.208194
N 3.454690 0.195897 0.600351
C 0.848614 -0.202839 -0.565106
C 1.762859 -1.298110 -0.438245
C 1.244346 1.099222 -0.122789
C 3.081937 -1.034875 0.130866
C 2.563003 1.230676 0.491164
C 4.051658 -2.112884 0.231367
C 1.429885 -2.641438 -0.829250
C 0.446350 2.283735 -0.297481
C 3.683887 -3.388323 -0.200333
C -1.692608 -0.141534 -0.738602
C 2.980067 2.520563 0.975122
C 2.372785 -3.658633 -0.715530
C 5.420649 -1.824801 0.804037
C 0.893488 3.518519 0.165065
C 2.164800 3.637266 0.824649
C -1.943190 0.307900 0.591445
C -2.795123 -0.344465 -1.621659
C -3.259122 0.551569 1.010820
C -4.107834 -0.102019 -1.191698
C -4.357415 0.354594 0.130646
C -5.721116 0.626389 0.628214
H -0.358229 -1.027696 -2.039040
H 0.419345 -2.876598 -1.180722
H -0.519473 2.211875 -0.804713
H 4.407877 -4.208150 -0.127454
H 3.965598 2.578210 1.447108
H 2.111640 -4.682113 -1.006213
H 6.045442 -2.734142 0.816221
H 5.935326 -1.041467 0.219373
H 5.340052 -1.428328 1.831841
H 0.274508 4.410565 0.020731
H 2.493887 4.615159 1.192502
H -1.111894 0.448016 1.287453
H -2.609737 -0.685412 -2.647779
H -3.463135 0.891143 2.031664
H -4.951306 -0.256642 -1.870002
H -7.599838 0.584020 0.060518


