%chk=000068875.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068875

0 1
 O   -2.485100       1.981400     -4.7400001E-02
 O   -3.623800      -2.826400      0.2269000    
 O   -2.722300       4.245900     -0.3691000    
 O   -1.450100      -2.916600     -0.5069000    
 N    2.384700     -0.2762000      0.2938000    
 N   -1.358000       1.195600      6.8400003E-02
 N    1.004500       1.558400      2.7100001E-02
 N   -2.371900     -0.9729000      0.3728000    
 N  -0.6070000       3.266300     -0.2218000    
 C    3.470700      0.4072000      0.9944000    
 C    2.649100      -1.650200     -0.1426000    
 C    4.715500      0.4564000      0.1086000    
 C    1.144100      0.2602000      0.2125000    
 C    4.053000      -1.813400     -0.6489000    
 C    4.988000     -0.8583000     -0.5548000    
 C  -4.3800000E-02 -0.6867000      0.3424000    
 C   -1.280700     -0.1568000      0.2614000    
 C  -0.2866000       2.015400     -4.3499999E-02
 C   -1.999200       3.269000     -0.2281000    
 C   -2.387800      -2.295300     -1.6400000E-02
 C   -3.793200      -4.203200     -0.1290000    
 H    3.690200     -0.1383000       1.921300    
 H    3.198300       1.426200       1.293000    
 H    1.977300      -1.927500     -0.9639000    
 H    2.484500      -2.345300      0.6885000    
 H    5.578200      0.7469000      0.7186000    
 H    4.594300       1.219300     -0.6697000    
 H    4.304600      -2.753600      -1.131300    
 H    5.976200      -1.029000     -0.9702000    
 H   0.1665000      -1.720700      0.5761000    
 H   -3.264200     -0.5264000      0.5634000    
 H   -3.639000      -4.337700      -1.203800    
 H   -4.817700      -4.494100      0.1179000    
 H   -3.102400      -4.829600      0.4433000    


%chk=000068875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068875

0 1
O -2.637642 1.670465 0.142302
O -3.841845 -2.714672 -0.221022
O -2.921233 4.258983 0.331782
O -1.547609 -3.224446 -0.107037
N 2.506985 -0.253446 0.308649
N -1.380857 1.070516 0.177959
N 0.965734 1.517394 0.377868
N -2.383909 -1.010476 -0.010201
N -0.708447 3.261076 0.403737
C 3.599605 0.699568 0.626912
C 2.857202 -1.685585 0.203066
C 4.771920 0.548786 -0.362313
C 1.191219 0.157102 0.281292
C 4.302717 -1.908508 -0.192240
C 5.168526 -0.908266 -0.491569
C 0.112871 -0.788716 0.159452
C -1.196083 -0.292525 0.104571
C -0.295558 1.958275 0.326764
C -2.010689 3.451471 0.329811
C -2.489928 -2.396244 -0.111863
C -4.142029 -4.160591 -0.333074
H 3.963361 0.492241 1.654554
H 3.167581 1.710284 0.606855
H 2.217224 -2.153182 -0.571754
H 2.633659 -2.215827 1.156577
H 5.627118 1.150221 0.000943
H 4.491846 0.964479 -1.350851
H 4.609075 -2.959557 -0.262724
H 6.187550 -1.147888 -0.819973
H 0.252868 -1.866770 0.129399
H -3.245073 -0.448079 -0.024993
H -3.657189 -4.582247 -1.229102
H -5.236206 -4.209665 -0.414527
H -3.785862 -4.694171 0.563747


