%chk=000116309.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116309

2 1
 O    5.675700      0.9214000     -0.2623000    
 O  -0.5517000     -0.5364000     -0.5069000    
 N    3.151800     -0.4541000      1.5699999E-02
 N   -4.102400      0.1202000      0.2871000    
 C    3.293100       1.065400      0.1600000    
 C    4.303700     -0.9910000     -0.8418000    
 C    1.830900     -0.7547000     -0.6998000    
 C    3.100500      -1.143100       1.377900    
 C    4.690900       1.433400      0.6325000    
 C    5.642500     -0.5030000     -0.3106000    
 C   -2.948400     -0.4120000     -0.4806000    
 C   0.6792000     -0.2288000      0.1340000    
 C   -5.423200     -0.1893000     -0.4303000    
 C   -3.992400       1.642300      0.4497000    
 C   -1.662400     -6.1099999E-02  0.2414000    
 C   -4.161000     -0.5067000       1.686800    
 C   -5.594000      -1.689100     -0.5347000    
 C   -3.932800       2.286500     -0.9181000    
 H    2.563600       1.432900      0.8863000    
 H    3.100200       1.499400     -0.8280000    
 H    4.239600      -2.084200     -0.8480000    
 H    4.142500     -0.6085000      -1.856700    
 H    1.758500      -1.838800     -0.8492000    
 H    1.853900     -0.2805000      -1.688400    
 H    2.736600      -2.166300       1.244300    
 H    2.464900     -0.5734000       2.060300    
 H    4.104900      -1.173000       1.804600    
 H    4.795700       2.523200      0.6480000    
 H    4.893000       1.075900       1.648500    
 H    5.892800     -0.9143000      0.6723000    
 H    6.436300     -0.8223000     -0.9943000    
 H   -2.967100     -6.3299999E-02  -1.517900    
 H   -3.010000      -1.504900     -0.5243000    
 H   0.6434000     -0.6873000       1.125100    
 H   0.7218000      0.8579000      0.2422000    
 H   -6.241000      0.2708000      0.1349000    
 H   -5.390700      0.2221000      -1.441600    
 H   -4.893300       1.972900      0.9816000    
 H   -3.139500       1.899200       1.082800    
 H   -1.618800     -0.5202000       1.233900    
 H   -1.524400       1.017300      0.3417000    
 H   -5.158000     -0.3354000       2.104900    
 H   -3.939200      -1.575400       1.622000    
 H   -3.424700     -1.5400000E-02   2.330100    
 H   -6.561600      -1.892400      -1.010200    
 H   -4.848400      -2.168900      -1.173500    
 H   -5.625500      -2.200100      0.4303000    
 H   -3.850800       3.371500     -0.7745000    
 H   -3.054500       2.006700      -1.503900    
 H   -4.832800       2.147900      -1.520000    


%chk=000116309-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116309

2 1
O 5.810698 0.422437 -1.024662
O -0.530248 -0.301767 0.058435
N 3.252370 -0.424090 0.218431
N -4.293667 0.073434 0.242332
C 3.622807 1.055380 -0.077668
C 4.104591 -1.334889 -0.721368
C 1.775382 -0.687431 -0.132990
C 3.521305 -0.780106 1.680483
C 5.144253 1.284448 -0.048564
C 5.600760 -0.985632 -0.679647
C -2.862309 -0.214112 -0.237838
C 0.732477 0.069665 0.713441
C -5.295011 -0.342614 -0.885582
C -4.507470 1.585230 0.563812
C -1.733216 0.248011 0.704650
C -4.607776 -0.715701 1.514704
C -5.352871 -1.841471 -1.197624
C -4.258669 2.553659 -0.596590
H 3.109485 1.691281 0.662768
H 3.235559 1.269901 -1.088273
H 3.917956 -2.380668 -0.421618
H 3.715175 -1.166625 -1.739590
H 1.608366 -1.773841 -0.034143
H 1.638844 -0.411531 -1.192308
H 3.122104 -1.786389 1.881122
H 3.034933 -0.041854 2.335084
H 4.602208 -0.772316 1.872948
H 5.351976 2.319422 -0.363288
H 5.570163 1.140465 0.966086
H 6.069503 -1.226223 0.297070
H 6.118709 -1.570725 -1.456218
H -2.738004 0.264694 -1.222042
H -2.776990 -1.303894 -0.374980
H 0.728383 -0.260189 1.772198
H 0.873178 1.169648 0.675292
H -6.280076 0.026168 -0.549605
H -4.996772 0.227654 -1.779838
H -5.548892 1.662396 0.921901
H -3.845366 1.811635 1.417200
H -1.838364 -0.166999 1.728091
H -1.662179 1.353144 0.766201
H -5.687891 -0.649202 1.715622
H -4.321616 -1.768080 1.379536
H -4.056361 -0.283681 2.362938
H -6.093057 -1.977366 -2.006240
H -4.400066 -2.248634 -1.575275
H -5.700478 -2.452130 -0.348578
H -4.409124 3.577771 -0.211313
H -3.229272 2.508712 -0.991595
H -4.968039 2.426007 -1.429602


