%chk=000063609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063609

0 1
 O    4.109000       1.512400       1.212500    
 O   -5.354500       1.055700      0.9682000    
 O   -6.359200      -1.533600       1.067700    
 N    2.433900      0.6953000     -0.2298000    
 N  -0.4220000     -0.5569000      -1.060600    
 N    2.478300      -1.575500     -0.9046000    
 C    1.937300     -0.3958000     -0.9395000    
 C   0.7422000     -0.2408000      -1.857600    
 C    4.248000     -0.7201000      0.5567000    
 C   -1.650400     -0.4318000      -1.840700    
 C    3.610600      0.6145000      0.5383000    
 C    3.641000      -1.762700     -0.1470000    
 C    1.748600       1.929700     -0.2005000    
 C   -2.906500     -0.7224000      -1.064200    
 C    5.422900     -0.9380000       1.285800    
 C    4.228000      -3.033100     -0.1130000    
 C   -3.554800      0.3105000     -0.4014000    
 C    2.061400       2.908500      -1.134500    
 C   0.7710000       2.147700      0.7612000    
 C   -3.399000      -2.019500      -1.021100    
 C    5.996800      -2.208200       1.309600    
 C   -4.718700      4.1200001E-02  0.3188000    
 C    5.399600      -3.255500      0.6119000    
 C   -5.222600      -1.258600      0.3688000    
 C   -4.562800      -2.288900     -0.3011000    
 C    1.384300       4.127700      -1.106100    
 C   9.3900003E-02   3.367000      0.7894000    
 C   0.4007000       4.356900     -0.1443000    
 C   -4.962700       1.309100       2.315900    
 C   -7.594300      -1.435000      0.3613000    
 H   0.8462000     -0.9435000      -2.693400    
 H   0.6878000      0.7676000      -2.274300    
 H   -1.611800      -1.101300      -2.710800    
 H   -1.725700      0.5839000      -2.252100    
 H  -0.3470000      -1.511700     -0.7084000    
 H    5.902300     -0.1358000       1.839900    
 H    3.775600      -3.859400     -0.6564000    
 H   -3.163700       1.324200     -0.4368000    
 H    2.825900       2.739000      -1.887900    
 H   0.5249000       1.383000       1.493000    
 H   -2.891600      -2.829400      -1.537500    
 H    6.908500      -2.381700       1.873700    
 H    5.846400      -4.245300      0.6305000    
 H   -4.949200      -3.303900     -0.2655000    
 H    1.622900       4.898400      -1.833200    
 H  -0.6728000       3.545000       1.537700    
 H  -0.1269000       5.305900     -0.1225000    
 H   -5.563600       2.139200       2.697100    
 H   -3.906100       1.592000       2.361000    
 H   -5.143500      0.4296000       2.941900    
 H   -7.619200      -2.148300     -0.4685000    
 H   -7.744300     -0.4174000     -1.2800000E-02
 H   -8.405200      -1.675900       1.054100    


%chk=000063609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063609

0 1
O 4.011408 1.913678 1.004831
O -4.559052 0.232399 1.899490
O -6.560578 -1.616540 0.830256
N 2.433045 0.846679 -0.390131
N -0.468969 -0.605487 -1.223873
N 2.472640 -1.539569 -0.757093
C 1.958623 -0.339877 -0.989446
C 0.784320 -0.279076 -1.949645
C 4.122115 -0.501468 0.772620
C -1.679027 -0.542858 -2.081631
C 3.569818 0.839929 0.507833
C 3.549549 -1.649458 0.139382
C 1.785134 2.133929 -0.624789
C -2.945796 -0.842706 -1.292365
C 5.218713 -0.649554 1.661965
C 4.089792 -2.936921 0.411562
C -3.186469 -0.203358 -0.051037
C 2.493226 3.154855 -1.297087
C 0.474775 2.355174 -0.145334
C -3.910393 -1.753120 -1.789028
C 5.741364 -1.926450 1.923946
C -4.367860 -0.451722 0.674226
C 5.172769 -3.071401 1.295594
C -5.356757 -1.332277 0.142768
C -5.109144 -1.990312 -1.079609
C 1.874609 4.406868 -1.504036
C -0.138907 3.609232 -0.361955
C 0.558225 4.636391 -1.039093
C -4.635001 -0.647047 3.089793
C -7.461235 -0.452671 1.005794
H 1.006591 -0.997046 -2.771312
H 0.681147 0.728022 -2.389153
H -1.621451 -1.232722 -2.958965
H -1.727082 0.485870 -2.495302
H -0.383320 -1.520440 -0.756392
H 5.632086 0.250723 2.128154
H 3.639006 -3.801074 -0.085700
H -2.441563 0.477337 0.372436
H 3.518112 2.974680 -1.634888
H -0.057505 1.543075 0.358976
H -3.730670 -2.272809 -2.737422
H 6.586297 -2.044226 2.610504
H 5.585372 -4.064958 1.502973
H -5.870801 -2.679199 -1.458791
H 2.421870 5.202365 -2.021050
H -1.156727 3.782598 0.003952
H 0.082224 5.610129 -1.198832
H -4.822235 0.026399 3.939994
H -3.672978 -1.174788 3.232654
H -5.453856 -1.382112 2.988434
H -7.813051 -0.094161 0.019709
H -6.949719 0.367068 1.541471
H -8.312781 -0.827996 1.593542


