%chk=000063450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063450

0 1
 O    5.591900       1.328700     -0.9284000    
 O   0.2858000     -0.3016000       2.131900    
 N   -4.432700      0.8579000     -0.2782000    
 N   0.2357000      -1.796800      0.3441000    
 N    1.958800      -1.791300      -1.294300    
 C   -4.639200      0.7674000       1.168400    
 C   -5.553800       1.558600     -0.9076000    
 C   -4.265800     -0.4689000     -0.8575000    
 C    2.045500     -0.2009000      0.5772000    
 C    2.582100     -0.7415000     -0.5991000    
 C   -4.814700       2.144700       1.785300    
 C   -5.329300       1.723500      -2.401100    
 C   0.7774000     -0.7564000       1.103500    
 C   -1.009900      -2.406700      0.7833000    
 C    2.691200      0.8446000       1.245400    
 C   0.8547000      -2.251900     -0.8060000    
 C    3.779400     -0.2161000      -1.097300    
 C   -3.108500      -1.153100     -0.2734000    
 C    4.427200      0.8275000     -0.4337000    
 C    3.883700       1.356400      0.7356000    
 C   -2.160900      -1.717500      0.2021000    
 C    6.201600       2.393500     -0.2002000    
 H   -5.507700      0.1440000       1.417700    
 H   -3.766600      0.3219000       1.659100    
 H   -6.509000       1.049000     -0.7290000    
 H   -5.645400       2.577900     -0.5194000    
 H   -5.166700      -1.081600     -0.7244000    
 H   -4.066900     -0.4150000      -1.932900    
 H   -4.048400       2.847300       1.440200    
 H   -5.804900       2.568900       1.592300    
 H   -4.718600       2.070700       2.874700    
 H   -4.326700       2.105200      -2.622300    
 H   -5.486300      0.7922000      -2.953900    
 H   -6.048600       2.446800      -2.802000    
 H   -1.067300      -2.377900       1.876900    
 H   -1.017100      -3.459400      0.4788000    
 H    2.282200       1.269500       2.157800    
 H   0.3246000      -3.072900      -1.313500    
 H    4.211800     -0.6223000      -2.009100    
 H    4.335000       2.165700       1.299400    
 H    7.116700       2.668100     -0.7352000    
 H    6.502100       2.074500      0.8035000    
 H    5.564300       3.284000     -0.1799000    


%chk=000063450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063450

0 1
O 6.069950 1.637328 -1.010626
O 1.608942 -1.774258 2.333391
N -5.186911 0.533846 -0.473325
N 0.332257 -0.344857 0.978768
N 1.305898 1.253326 -0.546762
C -5.688458 0.608182 0.929106
C -6.275684 0.638747 -1.484254
C -4.371088 -0.693570 -0.695875
C 2.756697 -0.232880 0.827638
C 2.586440 0.808142 -0.150176
C -6.173707 2.014627 1.324867
C -5.767246 0.968488 -2.901058
C 1.584812 -0.859766 1.451923
C -0.897248 -0.929685 1.603555
C 4.063735 -0.645543 1.187366
C 0.266597 0.669549 0.022032
C 3.723205 1.407433 -0.739468
C -3.141547 -0.743370 0.116260
C 5.015104 0.981984 -0.368207
C 5.191383 -0.052086 0.602036
C -2.100199 -0.826666 0.772142
C 7.439982 1.239908 -0.668479
H -6.501241 -0.142668 1.110468
H -4.844676 0.330156 1.586982
H -6.897902 -0.294598 -1.510970
H -6.944889 1.454157 -1.159555
H -4.961816 -1.628367 -0.499189
H -4.079829 -0.727201 -1.761691
H -5.378220 2.755477 1.133458
H -7.075858 2.325808 0.768300
H -6.426606 2.038178 2.400928
H -5.132546 1.871083 -2.873478
H -5.178008 0.146408 -3.346429
H -6.622192 1.159081 -3.575537
H -1.062727 -0.434266 2.580676
H -0.649947 -1.982339 1.834268
H 4.167658 -1.439183 1.934506
H -0.743255 0.977573 -0.265708
H 3.592661 2.197956 -1.482125
H 6.191086 -0.385576 0.893602
H 8.083770 1.879183 -1.289592
H 7.622894 0.175991 -0.913007
H 7.655430 1.420973 0.402034


