%chk=000101783.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101783

0 1
 O    5.785600      0.1737000     -0.3105000    
 O   -5.784900      0.1739000      0.3098000    
 N   0.2428000      0.1733000     -0.5773000    
 N  -0.2422000      0.1736000      0.5785000    
 C    4.426100      0.1735000     -0.3769000    
 C   -4.425500      0.1737000      0.3767000    
 C    1.639600      0.1734000     -0.5101000    
 C   -1.645900      0.1737000      0.5105000    
 C    3.729400      -1.034400     -0.4096000    
 C   -3.728800      -1.034400      0.4102000    
 C    3.729500       1.381400     -0.4108000    
 C   -3.728900       1.381600      0.4102000    
 C    2.336100      -1.034500     -0.4764000    
 C   -2.335500      -1.034400      0.4773000    
 C    2.336300       1.381500     -0.4773000    
 C   -2.335700       1.381700      0.4773000    
 C    6.403300     -0.9258000      0.3567000    
 C   -6.402400     -0.9260000     -0.3572000    
 C    7.709900     -0.4625000      0.9649000    
 C   -7.708800     -0.4630000     -0.9660000    
 H    4.234000      -1.996000     -0.4129000    
 H   -4.233400      -1.995900      0.4138000    
 H    4.266900       2.325500     -0.3852000    
 H   -4.266200       2.325700      0.3841000    
 H    1.802100      -1.980700     -0.5083000    
 H   -1.800300      -1.979700      0.5100000    
 H    1.802500       2.328000     -0.5039000    
 H   -1.800900       2.327300      0.5037000    
 H    5.779200      -1.310900       1.172900    
 H    6.594500      -1.725000     -0.3678000    
 H   -5.778000      -1.311500      -1.173000    
 H   -6.593800      -1.724900      0.3676000    
 H    8.217100      -1.285100       1.477000    
 H    8.375300     -6.4599998E-02  0.1916000    
 H    7.536200      0.3468000       1.681900    
 H   -8.215900      -1.285800      -1.477900    
 H   -8.374500     -6.4700000E-02 -0.1932000    
 H   -7.534900      0.3459000      -1.683300    


%chk=000101783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101783

0 1
O 5.993795 -0.192514 -0.289278
O -5.993339 -0.161238 0.288843
N 0.350296 -0.186894 -0.555227
N -0.349842 -0.166765 0.555839
C 4.596098 -0.189153 -0.241669
C -4.595677 -0.164521 0.241436
C 1.764474 -0.186155 -0.368449
C -1.764111 -0.167496 0.369077
C 3.831227 -0.168478 0.959108
C -3.830523 -0.186397 -0.959093
C 3.944150 -0.208270 -1.502495
C -3.943968 -0.144341 1.502410
C 2.427672 -0.167085 0.891053
C -2.426934 -0.187745 -0.890602
C 2.542867 -0.206693 -1.560427
C -2.542722 -0.145859 1.560790
C 6.737999 -0.174264 0.988569
C -6.737310 -0.180395 -0.989138
C 8.221953 -0.183949 0.632992
C -8.221319 -0.170136 -0.633808
H 4.322680 -0.153595 1.936569
H -4.321702 -0.202333 -1.936677
H 4.556230 -0.224046 -2.408994
H -4.556194 -0.127829 2.408807
H 1.818346 -0.151346 1.800098
H -1.817533 -0.204397 -1.799551
H 2.017027 -0.221296 -2.520626
H -2.017228 -0.130277 2.521166
H 6.465137 0.737008 1.558969
H 6.460113 -1.065441 1.587557
H -6.459172 0.710190 -1.588902
H -6.464461 -1.092221 -1.558643
H 8.832412 -0.169111 1.554152
H 8.478751 -1.089231 0.057115
H 8.482675 0.699495 0.025796
H -8.831657 -0.184512 -1.555054
H -8.482574 -1.053520 -0.026760
H -8.477734 0.735208 -0.057853


