%chk=000048332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048332

1 1
 O   -1.323100     -8.5500002E-02  0.6184000    
 O   -2.521300     -0.5199000      -1.312700    
 N    1.959000      0.9826000     -7.1000000E-03
 N    1.391000      -2.155800     -0.6819000    
 N   -3.106700       1.322500     -1.9300001E-02
 C    1.041800      0.2172000     -0.9499000    
 C    2.358600       2.303300     -0.6490000    
 C    1.229400       1.254200       1.300600    
 C    3.206200      0.1555000      0.2700000    
 C   0.5973000      -1.103600     -0.3942000    
 C    3.083100       2.026700      -1.948300    
 C    2.145800       2.015000       2.233800    
 C  -0.5602000      -1.177600      0.3576000    
 C  -0.9311000      -2.423600      0.8510000    
 C   0.9986000      -3.350500     -0.1854000    
 C  -0.1423000      -3.535800      0.5789000    
 C   -2.343200      0.1899000     -0.3233000    
 C   -4.193500       1.729900     -0.8983000    
 C   -2.889500       2.155600       1.159000    
 H    1.585600      5.5000000E-03  -1.876000    
 H   0.2012000      0.8704000      -1.209400    
 H    1.453300       2.899200     -0.8086000    
 H    3.041400       2.840000      1.4200000E-02
 H   0.3289000       1.835500       1.080000    
 H   0.9782000      0.3066000       1.781700    
 H    2.982200     -0.5921000       1.037900    
 H    3.522000     -0.3552000     -0.6450000    
 H    4.014200      0.8089000      0.6131000    
 H    3.468100       2.979200      -2.333900    
 H    3.952700       1.372900      -1.852300    
 H    2.427000       1.646000      -2.735300    
 H    1.646600       2.102400       3.207100    
 H    3.099600       1.521300       2.432600    
 H    2.329300       3.044100       1.914400    
 H   -1.831800      -2.534600       1.448200    
 H    1.648000      -4.185800     -0.4256000    
 H  -0.4117000      -4.516600      0.9534000    
 H   -5.129400       1.712200     -0.3326000    
 H   -4.286800       1.065100      -1.760600    
 H   -3.997800       2.746300      -1.252000    
 H   -3.820400       2.203900       1.731500    
 H   -2.610900       3.160300      0.8284000    
 H   -2.101300       1.762300       1.803400    


%chk=000048332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048332

1 1
O -1.981619 -0.051515 0.578608
O -1.501450 0.273252 -1.718614
N 2.306428 0.965305 0.152330
N 1.330516 -1.781444 0.695712
N -3.453267 1.158331 -0.741827
C 0.840048 0.547708 -0.069039
C 2.444870 2.455135 -0.269353
C 2.662999 0.837492 1.662383
C 3.240251 0.097601 -0.694475
C 0.401710 -0.804023 0.480104
C 1.979087 2.789541 -1.692197
C 4.049152 1.359416 2.058791
C -0.980162 -1.046778 0.712093
C -1.394256 -2.308775 1.187681
C 0.927873 -3.001592 1.150610
C -0.425518 -3.307984 1.411747
C -2.280640 0.463154 -0.747586
C -3.915466 1.773934 -2.004694
C -4.341698 1.311044 0.428169
H 0.649874 0.561827 -1.154184
H 0.215418 1.341869 0.379333
H 1.873477 3.033965 0.478422
H 3.512636 2.699043 -0.151948
H 1.867758 1.383672 2.201241
H 2.569785 -0.235735 1.887411
H 3.170218 -0.930683 -0.313010
H 2.902209 0.127562 -1.740370
H 4.263159 0.494790 -0.621926
H 2.177704 3.862741 -1.861799
H 2.535931 2.236147 -2.466458
H 0.899827 2.631040 -1.847240
H 4.185966 1.144197 3.133433
H 4.868125 0.846310 1.527167
H 4.164562 2.448512 1.934492
H -2.457754 -2.485836 1.372152
H 1.718116 -3.742044 1.307292
H -0.709499 -4.298907 1.775882
H -4.887681 1.340585 -2.301206
H -3.179618 1.579675 -2.797979
H -4.037934 2.864289 -1.873043
H -5.334087 0.879455 0.202577
H -4.472739 2.383494 0.662371
H -3.916210 0.802131 1.301444


