%chk=000120855.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120855

0 1
 O    1.546200       3.033900     -7.9300001E-02
 O  -0.3545000      0.9855000      0.1411000    
 O   -1.290500     -0.6134000      -1.199600    
 N    3.830800      0.1174000     -0.2434000    
 N   -2.546100      0.5734000      0.3801000    
 C    5.123800     -6.1000001E-02 -0.9187000    
 C    3.923700     -0.2281000       1.182000    
 C    5.614200      -1.504800     -0.7989000    
 C    4.374700      -1.677400       1.370400    
 C    5.696200      -1.943700      0.6587000    
 C    3.353400       1.490200     -0.4071000    
 C    1.943700       1.680500      0.1579000    
 C   0.9088000      0.7519000     -0.4736000    
 C   -1.403800      0.2261000     -0.3148000    
 C   -3.848500      4.4199999E-02  0.2338000    
 C   -4.872100      0.5290000       1.032600    
 C   -4.077000     -0.9485000     -0.7059000    
 C   -6.157600      7.1999999E-03  0.8881000    
 C   -5.362600      -1.470200     -0.8502000    
 C   -6.402800     -0.9923000     -5.3300001E-02
 H    5.022800      0.1760000      -1.984800    
 H    5.878700      0.6195000     -0.5032000    
 H    4.616200      0.4448000       1.704700    
 H    2.953200     -0.1531000       1.680900    
 H    6.599000      -1.601600      -1.269900    
 H    4.932400      -2.170600      -1.343200    
 H    3.605700      -2.355800      0.9790000    
 H    4.480600      -1.897000       2.438900    
 H    6.500400      -1.393300       1.162100    
 H    5.947800      -3.008200      0.7178000    
 H    3.333100       1.750700      -1.474200    
 H    4.035900       2.213500      5.9900001E-02
 H    1.921400       1.577900       1.246600    
 H   0.8196000      0.9616000      -1.546400    
 H    1.183300     -0.2984000     -0.3284000    
 H    1.522100       3.174700      -1.041200    
 H   -2.439400       1.299300       1.084600    
 H   -4.692100       1.307400       1.768900    
 H   -3.324400      -1.367900      -1.357500    
 H   -6.967700      0.3792000       1.508600    
 H   -5.555100      -2.248600      -1.583000    
 H   -7.403800      -1.398500     -0.1658000    


%chk=000120855-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120855

0 1
O 1.682611 3.321024 0.059978
O -0.328546 1.073763 0.106453
O -1.269220 -0.304491 -1.558432
N 3.837955 0.195678 -0.036523
N -2.495153 0.488646 0.316961
C 4.846833 -0.324742 -0.996924
C 4.284609 0.012950 1.369915
C 5.105736 -1.826331 -0.759172
C 4.526457 -1.477598 1.683578
C 5.552286 -2.082899 0.698430
C 3.412856 1.584521 -0.325811
C 1.965389 1.878431 0.153334
C 0.963982 1.018143 -0.615234
C -1.377056 0.344589 -0.487809
C -3.784020 -0.082273 0.131453
C -4.773043 0.208165 1.109762
C -4.106641 -0.916593 -0.971708
C -6.069869 -0.330312 0.988835
C -5.410471 -1.447267 -1.076475
C -6.398615 -1.163397 -0.106155
H 4.465949 -0.164225 -2.023010
H 5.817524 0.231704 -0.908205
H 5.228583 0.589170 1.562408
H 3.511732 0.419947 2.047092
H 5.873244 -2.184239 -1.472172
H 4.170886 -2.383455 -0.963225
H 3.565006 -2.019792 1.598337
H 4.879029 -1.580344 2.727856
H 6.544445 -1.614735 0.867536
H 5.672280 -3.167382 0.880863
H 3.462955 1.742714 -1.423190
H 4.077698 2.349566 0.142018
H 1.868488 1.668604 1.231712
H 0.816174 1.379649 -1.652690
H 1.323874 -0.025567 -0.650499
H 1.632650 3.577326 -0.896967
H -2.355093 1.078214 1.140604
H -4.525614 0.853270 1.962661
H -3.344930 -1.137489 -1.722251
H -6.822325 -0.098336 1.750722
H -5.652913 -2.090880 -1.929718
H -7.406022 -1.582225 -0.200037


