%chk=000099422.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099422

0 1
 O   -1.855500     -0.7656000       1.023900    
 O   -2.309800      0.1761000      -1.054000    
 O    4.572700     -0.7328000     -0.6261000    
 N   -3.875100      0.1697000      0.6569000    
 N    2.761700      0.3856000      0.3707000    
 C   -4.944800      0.8518000     -4.8599999E-02
 C   -6.155700      0.9927000      0.8810000    
 C   -4.456600       2.239200     -0.4782000    
 C   -5.338600      3.4600001E-02  -1.284400    
 C    4.948000       1.458800      0.3115000    
 C   -2.652900     -0.1081000      8.9800000E-02
 C    4.095700      0.2361000     -4.1999999E-02
 C    1.705000     -0.5133000      0.2212000    
 C    6.396000       1.060800      0.5899000    
 C    4.886500       2.485300     -0.8181000    
 C  -0.5847000      -1.093600      0.5416000    
 C   0.4374000     -0.1855000      0.7023000    
 C    1.916700      -1.740300     -0.4075000    
 C  -0.4068000      -2.311900     -7.4500002E-02
 C   0.8609000      -2.639600     -0.5553000    
 H   -5.898700       1.564800       1.780200    
 H   -6.985800       1.505100      0.3823000    
 H   -6.515900      1.1700000E-02   1.212300    
 H   -3.656500       2.200700      -1.223500    
 H   -4.078100       2.807400      0.3797000    
 H   -5.274500       2.818100     -0.9232000    
 H   -5.601000     -0.9939000      -1.009600    
 H   -6.209700      0.4771000      -1.781700    
 H   -4.542200     -2.0400001E-02  -2.032600    
 H   -4.027800     -0.1220000       1.617900    
 H    4.546700       1.915100       1.224900    
 H    6.444200      0.3066000       1.382900    
 H    6.983700       1.927700      0.9098000    
 H    6.874600      0.6362000     -0.2995000    
 H    5.473100       3.376000     -0.5707000    
 H    3.853600       2.800300      -1.002200    
 H    5.273300       2.068000      -1.754400    
 H    2.521200       1.258200      0.8360000    
 H   0.2582000      0.7660000       1.195000    
 H    2.867200      -2.066700     -0.8053000    
 H   -1.228600      -3.011600     -0.1887000    
 H    1.024300      -3.595600      -1.044500    


%chk=000099422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099422

0 1
O -1.989273 -1.161251 0.247944
O -2.033629 1.203167 -0.117041
O 4.760584 -0.762012 -0.018566
N -3.973142 -0.106048 0.157613
N 2.689752 0.342511 -0.145531
C -5.017199 0.960025 0.037079
C -6.380027 0.244958 0.198018
C -4.826011 2.012011 1.160630
C -4.925179 1.631647 -1.358075
C 4.765408 1.660405 -0.417412
C -2.623545 0.109721 0.074241
C 4.084939 0.298773 -0.176447
C 1.761601 -0.720322 0.057217
C 5.638870 2.017670 0.812556
C 5.623805 1.582683 -1.705222
C -0.581691 -1.368917 0.237025
C 0.385385 -0.362496 0.042816
C 2.160868 -2.066090 0.263125
C -0.208175 -2.716964 0.443392
C 1.161806 -3.045991 0.453323
H -6.459936 -0.247211 1.185566
H -7.198956 0.979877 0.119486
H -6.529225 -0.514754 -0.592213
H -3.838031 2.493729 1.073676
H -4.902781 1.538331 2.155884
H -5.605350 2.791281 1.082728
H -5.074303 0.886905 -2.160561
H -5.704457 2.409171 -1.453236
H -3.938963 2.105454 -1.494644
H -4.270314 -1.070276 0.317720
H 3.994554 2.448356 -0.548702
H 5.030970 2.117806 1.730142
H 6.169628 2.971817 0.641812
H 6.386734 1.223175 0.981038
H 6.157653 2.536374 -1.868559
H 5.004671 1.374007 -2.596628
H 6.368353 0.773415 -1.607738
H 2.269626 1.264288 -0.287498
H 0.068706 0.671173 -0.114452
H 3.221942 -2.318197 0.271512
H -0.985335 -3.471925 0.590356
H 1.461070 -4.087476 0.612826


