%chk=000137006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137006

0 1
 O   2.5800001E-02  -2.685800     -0.9555000    
 O  -2.5800001E-02   2.685600     -0.9557000    
 N   -1.138300     -0.7126000     -0.9952000    
 N    1.138300      0.7124000     -0.9955000    
 C   -1.273500      0.6703000     -0.5772000    
 C    1.273500     -0.6705000     -0.5772000    
 C   -1.705400      0.8022000      0.8740000    
 C    1.705300     -0.8020000      0.8740000    
 C   -3.025300      7.7500001E-02   1.193600    
 C    3.025300     -7.7200003E-02   1.193600    
 C   1.4000000E-02  -1.456900     -0.8816000    
 C  -1.4000000E-02   1.456800     -0.8817000    
 C   -4.181400      0.5601000      0.3165000    
 C    2.844500       1.433200       1.025400    
 C   -2.844400      -1.433000       1.025700    
 C    4.181400     -0.5601000      0.3168000    
 H   -2.039400       1.095800      -1.236300    
 H    2.039400      -1.096100      -1.236200    
 H  -0.9308000      0.4418000       1.555100    
 H    1.826000      -1.867200       1.112700    
 H   -1.826200       1.867500       1.112300    
 H   0.9306000     -0.4414000       1.555100    
 H   -3.269400      0.2865000       2.242800    
 H    3.269200     -0.2861000       2.242900    
 H   -1.964200      -1.187000      -1.341400    
 H    1.964200       1.186800      -1.341900    
 H   -4.063700      0.2737000     -0.7330000    
 H    3.123100       1.815200      4.1299999E-02
 H   -4.278600       1.649600      0.3669000    
 H   -3.123000      -1.815100      4.1700002E-02
 H    1.848500       1.779600       1.317700    
 H   -5.125000      0.1264000      0.6661000    
 H    4.063700     -0.2739000     -0.7328000    
 H    3.541700       1.933600       1.711100    
 H   -3.541600      -1.933200       1.711500    
 H    5.124900     -0.1264000      0.6664000    
 H   -1.848400      -1.779200       1.318000    
 H    4.278500      -1.649600      0.3675000    


%chk=000137006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137006

0 1
O 0.824243 -2.615815 -0.728086
O -0.824085 2.615133 -0.729040
N -0.888594 -1.051555 -0.690179
N 0.888735 1.050872 -0.690568
C -1.465966 0.283978 -0.428635
C 1.466090 -0.284549 -0.428438
C -2.122215 0.404383 0.986399
C 2.122292 -0.404364 0.986662
C -3.597734 -0.082753 1.088232
C 3.597710 0.083083 1.088354
C 0.439067 -1.410528 -0.628973
C -0.438933 1.409864 -0.629622
C -4.565937 0.868125 0.342940
C 3.803050 1.548794 0.632227
C -3.803483 -1.548364 0.631962
C 4.565990 -0.867477 0.342761
H -2.244348 0.478700 -1.190691
H 2.244506 -0.479571 -1.190388
H -1.488765 -0.155489 1.702908
H 2.094842 -1.471859 1.276529
H -2.094579 1.471965 1.275925
H 1.488723 0.155629 1.702972
H -3.853601 -0.035290 2.167791
H 3.853762 0.035546 2.167867
H -1.540652 -1.832409 -0.806768
H 1.540802 1.831680 -0.807432
H -4.366982 0.884592 -0.745577
H 3.695832 1.649624 -0.466671
H -4.471896 1.905388 0.712110
H -3.696646 -1.649058 -0.466984
H 3.088867 2.236829 1.122225
H -5.614570 0.546189 0.481011
H 4.366818 -0.883854 -0.745718
H 4.824646 1.891193 0.879137
H -4.825063 -1.890612 0.879147
H 5.614575 -0.545311 0.480664
H -3.089264 -2.236600 1.121624
H 4.472264 -1.904806 0.711823


