%chk=000048575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048575

0 1
 O    2.393500     -0.2381000      -2.052400    
 O  -0.2556000      6.6600002E-02   1.812800    
 O    2.690300       3.409500      0.7160000    
 N    2.468200       1.628500     -0.7208000    
 N    1.145400       1.780300       1.210400    
 C   0.5914000      7.0100002E-02 -0.4594000    
 C   0.4207000      -1.456000     -0.4561000    
 C  -0.5407000      0.7067000      -1.285200    
 C    1.544100      -2.128200      0.3219000    
 C    1.904200      0.4347000      -1.145400    
 C   0.4584000      0.6009000      0.9645000    
 C   -1.882900      0.4043000     -0.6887000    
 C    1.354100      -3.644600      0.3482000    
 C    2.128300       2.355400      0.4138000    
 C    2.449200      -4.329500       1.150100    
 C   -2.572600     -0.7364000      -1.086100    
 C   -2.427100       1.266500      0.2573000    
 C   -3.821000      -1.017900     -0.5312000    
 C   -3.675500      0.9848000      0.8122000    
 C   -4.372400     -0.1575000      0.4179000    
 H   0.4022000      -1.848700      -1.481100    
 H  -0.5123000      -1.765200      2.5500000E-02
 H  -0.5083000      0.3546000      -2.325800    
 H  -0.4134000       1.796300      -1.354100    
 H    2.521400      -1.910500     -0.1219000    
 H    1.578800      -1.763900       1.354800    
 H    1.356900      -4.038600     -0.6748000    
 H   0.3817000      -3.892900      0.7896000    
 H    3.266500       1.967200      -1.250500    
 H   0.9681000       2.231200       2.103600    
 H    2.451000      -3.982800       2.188400    
 H    3.435200      -4.129200      0.7188000    
 H    2.294300      -5.413100       1.154400    
 H   -2.163500      -1.409200      -1.834700    
 H   -1.905500       2.169100      0.5636000    
 H   -4.365100      -1.905400     -0.8406000    
 H   -4.106700       1.656700       1.548600    
 H   -5.345000     -0.3760000      0.8489000    


%chk=000048575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048575

0 1
O 2.233421 -0.130551 -2.214579
O -0.118136 0.159604 1.977800
O 2.915368 3.429866 0.694551
N 2.508995 1.648802 -0.765618
N 1.287982 1.841791 1.246171
C 0.608228 0.056698 -0.374738
C 0.484242 -1.488854 -0.328759
C -0.606557 0.705415 -1.208664
C 1.652517 -2.201730 0.389273
C 1.851121 0.473705 -1.180155
C 0.564568 0.642884 1.041573
C -1.998974 0.421896 -0.676673
C 1.469167 -3.736644 0.402579
C 2.274310 2.388566 0.408223
C 2.625923 -4.469442 1.114647
C -2.729535 -0.710047 -1.123757
C -2.614802 1.303668 0.248392
C -4.035827 -0.960574 -0.649328
C -3.920290 1.057428 0.724874
C -4.634885 -0.078038 0.279036
H 0.420783 -1.851207 -1.372099
H -0.464600 -1.736135 0.178715
H -0.493751 0.299730 -2.231061
H -0.436436 1.797743 -1.263104
H 2.610472 -1.960633 -0.114043
H 1.726626 -1.841195 1.434624
H 1.384454 -4.101872 -0.641085
H 0.509916 -3.983121 0.901100
H 3.271400 1.990057 -1.360175
H 1.175399 2.300004 2.156562
H 2.712528 -4.143290 2.168122
H 3.592382 -4.261575 0.618047
H 2.473496 -5.564127 1.111758
H -2.276935 -1.391333 -1.854652
H -2.070738 2.191102 0.595342
H -4.586946 -1.837502 -1.006720
H -4.379669 1.748870 1.439710
H -5.648916 -0.270260 0.646609


