%chk=000110875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110875

0 1
 O    6.161500     -0.5471000      0.5175000    
 O   -1.455600      -2.203000      -1.030600    
 O    1.322300      -1.777200      -1.015000    
 N   -2.622400     -0.4452000     -5.6499999E-02
 N    8.187200       1.368800     -4.7499999E-02
 N  -0.3236000     -0.3531000     -0.1757000    
 C   -3.948000     -0.9760000     -0.2297000    
 C   -4.423900      -1.767300       1.003800    
 C   -5.138700     -0.7644000       1.925600    
 C   -4.977000      0.1122000     -0.2890000    
 C   -5.655300      0.2270000      0.9314000    
 C    5.840500      0.6546000     -0.1936000    
 C    4.401200       1.022000      0.1397000    
 C    6.803800       1.771900      0.2161000    
 C    3.427800     -7.0299998E-02 -0.3006000    
 C   -5.268000      0.9565000      -1.348300    
 C    8.489500      0.1169000      0.6479000    
 C   -6.630000       1.192300       1.119300    
 C    7.498700     -0.9657000      0.2388000    
 C    1.982400      0.3190000      5.0000002E-04
 C   -6.258600       1.924800      -1.171200    
 C   -1.469100      -1.106200     -0.4745000    
 C   -6.934100       2.042300      5.3800002E-02
 C   0.9893000     -0.7327000     -0.4624000    
 H   -3.981400      -1.612200      -1.120900    
 H   -3.618400      -2.299200       1.521200    
 H   -5.154800      -2.522200      0.6800000    
 H   -5.940000      -1.246100       2.492800    
 H   -4.432300     -0.2811000       2.608300    
 H    5.923700      0.4601000      -1.271600    
 H    4.295700       1.168200       1.222300    
 H    4.137900       1.968400     -0.3478000    
 H    6.583200       2.685000     -0.3471000    
 H    6.693800       2.004800       1.282700    
 H    3.659300      -1.015200      0.2059000    
 H    3.541900     -0.2532000      -1.376500    
 H   -2.514300      0.4399000      0.4303000    
 H   -4.741500      0.8735000      -2.293000    
 H    8.441800      0.2812000       1.731100    
 H    9.508200     -0.2002000      0.4029000    
 H    7.588700      -1.216500     -0.8251000    
 H    7.686900      -1.879500      0.8113000    
 H   -7.147000       1.291200       2.067700    
 H    8.821000       2.098700      0.2761000    
 H    1.736600       1.263000     -0.5007000    
 H    1.850900      0.4649000       1.079300    
 H   -6.506400       2.598100      -1.987400    
 H   -7.697800       2.805900      0.1741000    
 H  -0.4700000      0.5404000      0.2865000    


%chk=000110875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110875

0 1
O 5.427646 0.539298 1.299852
O -1.824869 -1.667853 -2.207806
O 1.120229 -1.911767 -1.667414
N -2.557302 -0.221445 -0.528737
N 8.164670 0.552949 0.479999
N -0.316558 -0.107570 -1.213776
C -3.969071 -0.669302 -0.612397
C -4.260134 -1.990349 0.176241
C -4.761046 -1.544871 1.584559
C -4.875798 0.346541 0.076197
C -5.318126 -0.148344 1.330419
C 5.792738 0.236639 -0.107708
C 4.596999 0.671473 -0.963727
C 7.104879 0.962923 -0.469182
C 3.351596 -0.209484 -0.728947
C -5.253518 1.628923 -0.371826
C 7.813022 0.862293 1.883652
C -6.153687 0.641499 2.147843
C 6.502249 0.132370 2.223343
C 2.104485 0.327229 -1.466549
C -6.095652 2.419658 0.447247
C -1.591818 -0.759537 -1.371399
C -6.541951 1.927528 1.698686
C 0.949004 -0.684879 -1.464040
H -4.184709 -0.801512 -1.686782
H -3.375882 -2.647249 0.202728
H -5.067297 -2.535373 -0.346392
H -5.516737 -2.236043 1.998813
H -3.929874 -1.505623 2.316981
H 5.965109 -0.859811 -0.198976
H 4.369208 1.729753 -0.724599
H 4.887643 0.631761 -2.033695
H 7.409626 0.678082 -1.493421
H 6.907261 2.064713 -0.455417
H 3.153251 -0.266838 0.357237
H 3.542193 -1.241511 -1.078359
H -2.286116 0.357649 0.268808
H -4.911005 2.005419 -1.342741
H 7.664610 1.955987 2.063764
H 8.620435 0.506687 2.550683
H 6.661787 -0.964657 2.154150
H 6.139656 0.396765 3.230874
H -6.505207 0.266463 3.116162
H 9.095475 0.894101 0.212691
H 2.361140 0.512727 -2.530346
H 1.793733 1.302324 -1.041117
H -6.410449 3.413772 0.110634
H -7.197810 2.546985 2.321178
H -0.328429 0.879506 -0.945191


