%chk=000134837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134837

0 1
 O   -4.469700     -0.2446000      0.3744000    
 O    4.945300       1.171700       1.460600    
 N   -1.676800     -0.1963000     -0.2620000    
 C   0.8770000      -1.463000      0.4318000    
 C   6.0699999E-02  -1.830000     -0.8457000    
 C  -0.7023000     -0.5697000      -1.309900    
 C  -0.1451000      -1.012200       1.512700    
 C   0.2963000      0.5322000      -1.725000    
 C    1.827600     -0.2867000      0.1576000    
 C   -1.076500      0.1105000       1.036900    
 C    1.521200      0.6580000     -0.8475000    
 C    1.610900      -2.717800      0.9540000    
 C   0.8948000      -2.453600      -1.976400    
 C   -2.605600      0.8497000     -0.6781000    
 C    2.984200     -8.2699999E-02  0.9324000    
 C    2.385300       1.742400      -1.076700    
 C   -3.777000       1.000900      0.2953000    
 C    3.830000       1.003100      0.6982000    
 C    3.533400       1.913100     -0.3084000    
 C   -4.782200       2.060400     -0.1383000    
 C   -5.531400     -0.1854000       1.314000    
 H  -0.6856000      -2.593200     -0.5756000    
 H   -1.285600     -0.8419000      -2.200200    
 H   0.3723000     -0.6824000       2.423200    
 H  -0.7629000      -1.873300       1.804500    
 H  -0.2021000       1.504800      -1.796900    
 H   0.6505000      0.3037000      -2.739700    
 H   -1.834900      0.1961000       1.820600    
 H  -0.5417000       1.067500       1.014900    
 H    2.462600      -2.984900      0.3186000    
 H    1.992000      -2.575100       1.971500    
 H   0.9354000      -3.580400      0.9919000    
 H   0.2819000      -2.588800      -2.874200    
 H    1.762300      -1.846900      -2.250600    
 H    1.261800      -3.443900      -1.687800    
 H   -2.101200       1.817200     -0.7840000    
 H   -3.017700      0.5851000      -1.660600    
 H    3.239500     -0.7644000       1.739100    
 H    2.161100       2.463300      -1.859500    
 H   -3.419900       1.294400       1.288000    
 H    4.183500       2.761600     -0.5029000    
 H   -5.490400       2.310900      0.6583000    
 H   -5.363900       1.727800      -1.005200    
 H   -4.269700       2.991100     -0.4047000    
 H    5.412600       1.971400       1.163700    
 H   -5.819400      -1.214000       1.552400    
 H   -6.412400      0.3012000      0.8862000    
 H   -5.228300      0.3007000       2.247000    


%chk=000134837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134837

0 1
O -4.720772 -0.093729 -0.446555
O 5.248807 1.022113 1.061032
N -1.642100 0.027436 0.005626
C 0.906498 -1.345842 0.607162
C -0.039479 -1.782934 -0.561362
C -0.793337 -0.533919 -1.083381
C -0.004591 -0.725872 1.723464
C 0.218721 0.470124 -1.714822
C 1.892099 -0.265018 0.116019
C -0.884948 0.428642 1.213916
C 1.531002 0.616498 -0.948490
C 1.628478 -2.579104 1.207389
C 0.679637 -2.538638 -1.700675
C -2.609504 1.055894 -0.428808
C 3.141562 -0.089328 0.757693
C 2.436768 1.635074 -1.331827
C -3.968280 0.942434 0.294010
C 4.027380 0.932468 0.360515
C 3.681267 1.809330 -0.693442
C -4.742411 2.275227 0.307354
C -5.753677 -0.750978 0.346477
H -0.808279 -2.451355 -0.122672
H -1.495733 -0.856689 -1.876046
H 0.628644 -0.362789 2.556283
H -0.655725 -1.531133 2.117648
H -0.266219 1.460774 -1.825818
H 0.445941 0.133075 -2.747553
H -1.608520 0.707245 2.005006
H -0.253772 1.334196 1.028939
H 2.416370 -2.964460 0.537083
H 2.097349 -2.342607 2.180245
H 0.897713 -3.390414 1.385327
H -0.016671 -2.727774 -2.539663
H 1.542780 -1.970532 -2.092252
H 1.053885 -3.517895 -1.353986
H -2.209308 2.091203 -0.288317
H -2.816179 0.929830 -1.508052
H 3.456471 -0.744501 1.574512
H 2.160567 2.309146 -2.152602
H -3.801147 0.587123 1.335281
H 4.364813 2.608059 -1.009959
H -5.749556 2.151632 0.744515
H -4.860993 2.661375 -0.721182
H -4.204453 3.034297 0.905776
H 5.801329 1.760760 0.703888
H -6.193315 -1.524115 -0.304393
H -6.556703 -0.052017 0.665430
H -5.322509 -1.234710 1.249164


