%chk=000036558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036558

0 1
 O   -1.337200       1.599100      0.1131000    
 O  -0.2300000      0.2341000       1.576400    
 N   -4.031600     -0.9568000      5.0600000E-02
 N   0.8154000       1.135100     -0.3146000    
 N    7.128400      -1.300600      4.3099999E-02
 C   -2.602800       1.029100      0.4292000    
 C   -3.695900       1.940300     -0.1203000    
 C   -2.701400     -0.3762000     -0.1715000    
 C   -5.064300       1.292400      4.4700000E-02
 C   -5.083000     -0.1196000     -0.5439000    
 C   -4.093700      -2.315600     -0.4872000    
 C   -5.422700      -2.975200     -0.1603000    
 C  -0.2322000      0.9161000      0.5588000    
 C    2.132100      0.6262000     -0.2396000    
 C    3.047800      0.9649000      -1.223300    
 C    2.482100     -0.2008000      0.8160000    
 C    4.347300      0.4633000      -1.149600    
 C    3.781800     -0.7022000      0.8896000    
 C    4.714300     -0.3702000     -9.3300000E-02
 C    6.045800     -0.8833000     -1.7999999E-02
 H   -2.707300      0.9816000       1.521800    
 H   -3.506500       2.151300      -1.180800    
 H   -3.667700       2.911700      0.3874000    
 H   -2.458300     -0.3399000      -1.242800    
 H   -1.951300      -1.031500      0.2851000    
 H   -5.323800       1.251200       1.110300    
 H   -5.826000       1.908700     -0.4462000    
 H   -6.080100     -0.5189000     -0.3335000    
 H   -4.972000     -6.6000000E-02  -1.634900    
 H   -3.926700      -2.333600      -1.571500    
 H   -3.302500      -2.921100     -2.7700000E-02
 H   -5.687300      -2.854000      0.8957000    
 H   -6.242200      -2.595800     -0.7781000    
 H   -5.354900      -4.051000     -0.3580000    
 H   0.6173000       1.735900      -1.111000    
 H    2.772200       1.613400      -2.050300    
 H    1.816800     -0.5013000       1.612300    
 H    5.062900      0.7313000      -1.923300    
 H    4.054300      -1.351000       1.718900    


%chk=000036558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036558

0 1
O -1.205191 1.019799 -0.458582
O -0.123901 -0.384728 1.101163
N -4.369284 -1.015665 -0.080094
N 1.043078 0.902274 -0.516880
N 7.710844 -0.479478 0.524969
C -2.543893 0.639764 0.098080
C -3.496178 1.790151 -0.239028
C -3.003093 -0.681261 -0.548703
C -4.936870 1.394781 0.163276
C -5.337122 0.042531 -0.462922
C -4.772784 -2.382423 -0.503681
C -6.038338 -2.895295 0.207613
C -0.087391 0.423917 0.142005
C 2.395791 0.583680 -0.258881
C 3.382692 1.196459 -1.081426
C 2.797693 -0.309112 0.773229
C 4.744946 0.926741 -0.882139
C 4.163957 -0.575010 0.966990
C 5.154789 0.034312 0.147977
C 6.549342 -0.245219 0.355261
H -2.439484 0.495097 1.188456
H -3.449365 1.981630 -1.329393
H -3.178527 2.714372 0.276297
H -2.951442 -0.565703 -1.663736
H -2.315872 -1.493240 -0.252463
H -5.010138 1.310275 1.264118
H -5.645602 2.179599 -0.160919
H -6.340292 -0.245972 -0.105621
H -5.395197 0.151448 -1.579843
H -4.918178 -2.438049 -1.614430
H -3.930619 -3.057366 -0.259192
H -5.920959 -2.809215 1.302119
H -6.944547 -2.338094 -0.089871
H -6.207802 -3.958049 -0.044514
H 0.846231 1.560655 -1.274304
H 3.078881 1.885472 -1.878711
H 2.040577 -0.777874 1.404359
H 5.497670 1.401683 -1.518634
H 4.472681 -1.261787 1.761358


