%chk=000087197.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087197

0 1
 O    2.349900     -3.2699998E-02  0.2271000    
 O   -3.166800      -3.138700      0.1250000    
 O   -3.092400       3.228100      0.1519000    
 O    4.917200      0.9839000     -0.2257000    
 N   -1.307900      2.5000000E-02 -0.2231000    
 C   7.4000000E-03  0.4504000      0.2542000    
 C   -1.606800      -1.329100      0.2414000    
 C   -2.340600      0.9586000      0.2248000    
 C    1.090400     -0.4928000     -0.2450000    
 C   -2.925500      -1.816400     -0.3377000    
 C   -2.057700       2.360200     -0.2920000    
 C    3.408900     -0.8751000     -0.2071000    
 C    4.724000     -0.3212000      0.3062000    
 H   4.5499999E-02  0.5182000       1.349700    
 H   0.2907000       1.435100     -0.1291000    
 H  -0.8710000      -2.063900     -9.6500002E-02
 H   -1.625900      -1.390900       1.337700    
 H   -3.330500      0.7005000     -0.1630000    
 H   -2.431700      0.9756000       1.319200    
 H    1.097500     -0.5257000      -1.341300    
 H   0.9733000      -1.506600      0.1448000    
 H   -2.897700      -1.839400      -1.431900    
 H   -3.792600      -1.232100     -2.4000000E-02
 H   -2.029200       2.384000      -1.386500    
 H   -1.134500       2.788900      0.1024000    
 H    3.420300     -0.8965000      -1.303100    
 H    3.260300      -1.891000      0.1748000    
 H    4.721900     -0.2413000       1.397700    
 H    5.562700     -0.9503000     -4.1999999E-03
 H   -3.222700      -3.106000       1.095400    
 H   -2.899300       4.111200     -0.2065000    
 H    4.157200       1.525800      4.7400001E-02


%chk=000087197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087197

0 1
O 2.434032 -0.212895 0.344914
O -3.330241 -3.178579 -0.113773
O -3.005955 3.275945 -0.278363
O 4.895194 1.157854 0.258786
N -1.301048 0.006045 0.326112
C 0.093032 0.220096 0.774499
C -1.873500 -1.310891 0.674341
C -2.206442 1.158719 0.532928
C 1.090739 -0.395774 -0.217899
C -2.768244 -1.862271 -0.456632
C -2.104586 2.163635 -0.623371
C 3.504005 -0.717983 -0.531702
C 4.814618 -0.300216 0.136817
H 0.285337 -0.201860 1.787573
H 0.289108 1.305721 0.839014
H -1.053496 -2.032818 0.841200
H -2.461974 -1.273320 1.626461
H -3.250677 0.800752 0.584030
H -2.003912 1.693698 1.488592
H 1.006052 0.106743 -1.205109
H 0.884748 -1.479194 -0.362112
H -2.165119 -2.036529 -1.361365
H -3.572518 -1.137941 -0.706950
H -2.407699 1.668307 -1.568877
H -1.056832 2.518392 -0.731452
H 3.416041 -0.253293 -1.537451
H 3.435223 -1.823136 -0.633947
H 4.891329 -0.786661 1.131968
H 5.677248 -0.603832 -0.479643
H -3.914090 -3.082571 0.680871
H -2.979781 3.959144 -0.993484
H 4.033807 1.450514 0.657021


