%chk=000028761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028761

0 1
 O   0.7823000       2.578100      -1.854400    
 O    4.597600       1.033100       1.724800    
 O    3.313800      -2.232400      -1.534300    
 O    5.056900      -1.376800      0.4396000    
 N  -0.5838000       1.545400     -0.2652000    
 N   -3.130100      0.3992000      0.1158000    
 N   -5.177300     -0.3649000     -0.8943000    
 C   -1.770000       2.326900     -0.5995000    
 C  -0.7871000      0.6036000      0.8381000    
 C   -2.938600       1.404900     -0.9427000    
 C   -1.933300     -0.3540000      0.5178000    
 C   0.6113000       1.760000     -0.9518000    
 C   -4.390300     -0.2012000      0.2203000    
 C    1.774100      0.9401000     -0.5884000    
 C   -4.834700     -0.6325000       1.483800    
 C    1.997600     -0.2700000      -1.238800    
 C    2.645900       1.377800      0.4048000    
 C    3.750200      0.5988000      0.7505000    
 C    3.101800      -1.049000     -0.8932000    
 C   -6.084100      -1.230800       1.603800    
 C    3.978300     -0.6147000      0.1014000    
 C   -6.385700     -0.9506000     -0.7387000    
 C   -6.880600      -1.396700      0.4762000    
 C    4.301700      0.6402000       3.063400    
 C    2.717200      -3.394900     -0.9628000    
 C    6.266800      -1.139600     -0.2765000    
 H   -1.571100       3.004700      -1.435600    
 H   -2.011500       2.942300      0.2755000    
 H   -1.024500       1.198000       1.728900    
 H   0.1159000      3.1599998E-02   1.060700    
 H   -3.839500       2.018700      -1.064900    
 H   -2.746200      0.8936000      -1.894300    
 H   -1.644400      -1.024000     -0.3018000    
 H   -2.121700     -0.9772000       1.399000    
 H   -4.223700     -0.4943000       2.371500    
 H    1.315800     -0.6110000      -2.014200    
 H    2.470200       2.323300      0.9122000    
 H   -6.437900      -1.564400       2.574600    
 H   -6.967900      -1.056100      -1.648100    
 H   -7.858100      -1.859700      0.5463000    
 H    4.316700     -0.4503000       3.157400    
 H    3.326300       1.030600       3.370800    
 H    5.068800       1.058300       3.720800    
 H    2.980300      -4.255500      -1.583700    
 H    1.627100      -3.296500     -0.9441000    
 H    3.096600      -3.564600      4.9800001E-02
 H    6.127400      -1.335200      -1.344400    
 H    7.030600      -1.821900      0.1065000    
 H    6.609100     -0.1111000     -0.1248000    


%chk=000028761-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028761

0 1
O 0.386264 1.260614 -2.622708
O 3.699075 0.907409 2.261570
O 4.368975 -1.897285 -1.775123
O 5.352783 -0.956729 0.769783
N -0.791255 1.102520 -0.618369
N -3.459361 0.163973 -0.118302
N -5.712662 0.805927 -0.332612
C -1.952904 1.810117 -1.208466
C -1.103830 0.411429 0.647393
C -3.147601 0.853826 -1.389626
C -2.316660 -0.543814 0.472024
C 0.356451 0.921504 -1.394554
C -4.773504 0.063027 0.346437
C 1.593484 0.354258 -0.740294
C -5.148569 -0.751858 1.465685
C 2.377627 -0.554512 -1.489945
C 2.043988 0.783552 0.531362
C 3.281917 0.335572 1.047153
C 3.596381 -1.029334 -0.971145
C -6.492649 -0.762566 1.877558
C 4.083812 -0.560637 0.284720
C -7.005443 0.771293 0.085991
C -7.457018 0.013554 1.187365
C 4.191262 -0.005487 3.317201
C 4.656032 -3.223654 -1.181044
C 6.488014 -0.399973 -0.012781
H -1.636864 2.215564 -2.182809
H -2.239415 2.640718 -0.534144
H -1.349895 1.161220 1.426104
H -0.232817 -0.171991 0.980956
H -4.049714 1.401799 -1.700972
H -2.895646 0.104072 -2.169398
H -2.012692 -1.395280 -0.176179
H -2.576431 -0.947011 1.463025
H -4.422182 -1.374077 1.994488
H 2.056517 -0.874097 -2.484933
H 1.482190 1.512647 1.123309
H -6.788700 -1.383216 2.730816
H -7.703274 1.383742 -0.498022
H -8.509577 0.023356 1.482699
H 5.067541 -0.575534 2.969281
H 3.385086 -0.699176 3.625829
H 4.458612 0.653193 4.157345
H 5.285942 -3.741659 -1.919949
H 3.713273 -3.783947 -1.033196
H 5.189826 -3.120349 -0.219647
H 6.418272 -0.716116 -1.068567
H 7.395711 -0.810265 0.455347
H 6.487826 0.702979 0.057143


