%chk=000051051.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051051

0 1
 O    2.526400      -2.241200       1.304100    
 O   -2.063300      -1.571000      -1.436800    
 N    1.338900      -1.532500     -0.5727000    
 N   -3.830200     -0.6462000      0.4830000    
 N  -0.7352000      -2.438100      0.2599000    
 N    1.919200      0.4857000      -1.688100    
 C   0.4448000      -2.679400     -0.5403000    
 C   -2.972000      -1.759900      0.7959000    
 C    3.193800     -0.2300000      0.2876000    
 C    2.334800      -1.431000      0.4024000    
 C   -1.901800      -1.898100     -0.2639000    
 C   -3.327100      0.6593000      0.3699000    
 C    2.949800      0.6771000     -0.7524000    
 C    1.189500     -0.5727000      -1.557200    
 C   -5.257600     -0.8973000      0.2666000    
 C    4.228400     -9.8000001E-03   1.202900    
 C    3.761100       1.812000     -0.8612000    
 C   -4.043800       1.631900     -0.3343000    
 C   -2.105300      0.9966000      0.9604000    
 C    5.027500       1.125900       1.080200    
 C    4.794700       2.035500      5.0200000E-02
 C   -3.543300       2.929100     -0.4472000    
 C   -1.605000       2.293900      0.8475000    
 C   -2.324100       3.260000      0.1437000    
 H   0.1370000      -2.926800      -1.562100    
 H   0.9569000      -3.545900     -0.1101000    
 H   -3.525900      -2.706900      0.7991000    
 H   -2.543900      -1.655500       1.799200    
 H  -0.6856000      -2.663600       1.248800    
 H   0.3723000     -0.7694000      -2.267100    
 H   -5.875300     -0.1710000      0.8067000    
 H   -5.547500      -1.887800      0.6340000    
 H   -5.497500     -0.8620000     -0.8013000    
 H    4.425500     -0.7070000       2.012300    
 H    3.592300       2.531300      -1.659100    
 H   -4.990200       1.414500     -0.8207000    
 H   -1.517900      0.2854000       1.532700    
 H    5.832300       1.302300       1.787900    
 H    5.418200       2.920000     -4.3800000E-02
 H   -4.101200       3.681000     -0.9975000    
 H  -0.6569000       2.552800       1.309700    
 H   -1.934300       4.269900      5.5799998E-02


%chk=000051051-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051051

0 1
O 1.946664 -1.855958 1.623538
O -2.017118 -1.941618 -1.412394
N 1.394247 -1.710354 -0.642512
N -3.829529 -0.590610 0.443984
N -0.674015 -2.505711 0.399624
N 2.305605 -0.057288 -2.138461
C 0.465782 -2.856475 -0.435316
C -2.977168 -1.696348 0.856055
C 3.059978 -0.172885 0.236285
C 2.132245 -1.282356 0.501581
C -1.855187 -2.034851 -0.161023
C -3.365627 0.737671 0.539345
C 3.117522 0.401980 -1.078905
C 1.495050 -1.064385 -1.879940
C -5.014356 -0.891209 -0.374420
C 3.887446 0.332577 1.273746
C 4.012586 1.479253 -1.325325
C -4.162539 1.821859 0.057208
C -2.103881 1.054635 1.133922
C 4.767628 1.394510 1.012159
C 4.827680 1.967080 -0.291092
C -3.722857 3.154520 0.186264
C -1.679841 2.393313 1.257636
C -2.481758 3.459370 0.790579
H 0.093451 -3.174695 -1.421604
H 1.035404 -3.663208 0.051886
H -3.600559 -2.604627 0.955186
H -2.542115 -1.504310 1.856917
H -0.502006 -2.455041 1.406927
H 0.827881 -1.438119 -2.663387
H -5.915515 -0.385187 0.023582
H -5.201373 -1.976687 -0.359137
H -4.872284 -0.589126 -1.430903
H 3.816904 -0.126225 2.265427
H 4.037819 1.905694 -2.332373
H -5.126061 1.628225 -0.421878
H -1.436043 0.265677 1.493057
H 5.408463 1.785782 1.809164
H 5.514908 2.797337 -0.487135
H -4.359238 3.962195 -0.194354
H -0.705602 2.600217 1.716099
H -2.144090 4.496483 0.884689


