%chk=000115598.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115598

0 1
 O  -0.9063000      -1.875500       1.960300    
 O   0.9089000      -2.289200     -0.4001000    
 N   -1.755700     -0.7854000      8.0100000E-02
 N   -3.037600       1.754800     -4.6500001E-02
 N    1.284500     -0.1956000      0.6371000    
 C   -3.156200     -0.6961000      0.4452000    
 C   -1.613900      6.2000002E-03  -1.131800    
 C   -3.852900     -0.9273000     -0.9030000    
 C   -2.826200     -0.4562000      -1.954700    
 C   -3.385800      0.7397000      0.9702000    
 C   -1.743000       1.487600     -0.7085000    
 C  -0.7835000      -1.356800      0.8600000    
 C   -3.086900       3.104000      0.5061000    
 C   0.5835000      -1.332300      0.2878000    
 C    2.606600      0.1420000      0.2632000    
 C    3.154900       1.332600      0.7110000    
 C    3.325600     -0.7257000     -0.5423000    
 C    4.458700       1.664900      0.3432000    
 C    4.629300     -0.3936000     -0.9101000    
 C    5.196000      0.8017000     -0.4674000    
 H   -3.429400      -1.437800       1.201900    
 H  -0.6665000     -0.1705000      -1.647500    
 H   -4.810900     -0.4043000     -0.9867000    
 H   -4.046000      -1.997000      -1.048400    
 H   -2.548500      -1.308000      -2.587100    
 H   -3.223800      0.3257000      -2.609600    
 H   -4.439700      0.8548000       1.249800    
 H   -2.781000      0.8892000       1.874700    
 H  -0.9157000       1.742800     -3.3700000E-02
 H   -1.655200       2.122500      -1.598100    
 H   -2.907500       3.847800     -0.2780000    
 H   -2.344500       3.252100       1.298300    
 H   -4.079400       3.314500      0.9197000    
 H   0.8120000      0.4831000       1.230400    
 H    2.589100       2.011900       1.342500    
 H    2.951700      -1.665800     -0.9217000    
 H    4.900000       2.595600      0.6878000    
 H    5.204500      -1.064800      -1.541400    
 H    6.211100       1.060300     -0.7539000    


%chk=000115598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115598

0 1
O -0.351492 -0.436652 1.979843
O 0.842479 0.200033 -1.376889
N -1.681272 -0.205350 0.086429
N -3.822008 1.643314 -0.399503
N 1.909535 -0.162312 0.701231
C -2.973634 -0.347647 0.818255
C -2.085326 0.112568 -1.318213
C -3.802008 -1.236917 -0.150525
C -3.209298 -0.933108 -1.569528
C -3.568593 1.079220 0.948413
C -2.642725 1.561007 -1.294703
C -0.474767 -0.230865 0.715760
C -4.431852 2.982724 -0.364506
C 0.816057 -0.036934 -0.127898
C 3.288966 -0.066128 0.390388
C 4.212551 -0.232789 1.458887
C 3.767319 0.185685 -0.924607
C 5.597781 -0.147921 1.217213
C 5.158282 0.267450 -1.148480
C 6.080430 0.103189 -0.089240
H -2.794282 -0.785747 1.811690
H -1.225758 0.041634 -1.996426
H -4.872054 -0.978443 -0.095584
H -3.680860 -2.301878 0.113103
H -2.783605 -1.843745 -2.025529
H -3.974954 -0.523223 -2.248385
H -4.528243 1.035029 1.497456
H -2.859740 1.701603 1.550762
H -1.816420 2.249399 -0.984049
H -2.956303 1.852781 -2.314784
H -4.692949 3.299558 -1.390523
H -3.764200 3.764397 0.077474
H -5.362293 2.953601 0.231166
H 1.627665 -0.348014 1.679265
H 3.841766 -0.427518 2.472953
H 3.052167 0.311516 -1.739864
H 6.299825 -0.277856 2.048157
H 5.522670 0.461384 -2.163602
H 7.157441 0.168856 -0.276806


