%chk=000059980.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059980

0 1
 O   -2.320400     -0.9937000      -1.073700    
 O   -1.513700      -2.241200      0.6650000    
 O    4.655500     -0.3568000     -0.8779000    
 N   -5.718100       1.055700      0.2587000    
 N  -0.1017000      -1.003300     -0.7330000    
 C   -3.585300     -0.8119000     -0.4503000    
 C   -3.457400      0.1652000      0.7149000    
 C   -4.574900     -0.2778000      -1.480900    
 C   -4.826000      0.5184000       1.296100    
 C   -5.909200      8.9500003E-02 -0.8325000    
 C   -7.006800       1.434300      0.8381000    
 C   -7.885300       2.103700     -0.2157000    
 C   -9.224700       2.527000      0.3676000    
 C   -1.313300      -1.489300     -0.2810000    
 C    1.187200      -1.257800     -0.2116000    
 C    7.726600       1.481400      0.2828000    
 C    6.525500       1.118100     -0.5874000    
 C    8.455100       2.710500     -0.2599000    
 C    5.769400     -7.9700001E-02 -3.0400001E-02
 C    2.290400     -0.6721000     -0.8121000    
 C    3.562600     -0.9247000     -0.2987000    
 C    1.323000      -2.089500      0.8887000    
 C    9.631700       3.095600      0.6227000    
 C    3.714900      -1.759500      0.8084000    
 C    2.595000      -2.342000       1.402000    
 H   -3.948800      -1.783600     -9.0099998E-02
 H   -2.832500     -0.2469000       1.514800    
 H   -2.945900       1.077700      0.3795000    
 H   -4.147400      0.5984000      -1.986900    
 H   -4.729900      -1.027000      -2.267000    
 H   -4.678600       1.267700       2.083400    
 H   -5.265900     -0.3697000       1.768900    
 H   -6.409700     -0.8189000     -0.4726000    
 H   -6.510500      0.4998000      -1.647300    
 H   -6.845800       2.146600       1.657300    
 H   -7.522800      0.5630000       1.262300    
 H   -7.378900       2.982100     -0.6331000    
 H   -8.127600       1.434400      -1.045400    
 H   -9.775700       1.663800      0.7546000    
 H   -9.087700       3.242100       1.185100    
 H   -9.839900       3.005800     -0.4010000    
 H  -0.1392000     -0.3857000      -1.540200    
 H    7.390500       1.679500       1.308100    
 H    8.419000      0.6321000      0.3286000    
 H    5.841300       1.972500     -0.6656000    
 H    6.850600      0.8999000      -1.612300    
 H    7.762100       3.557600     -0.3222000    
 H    8.815900       2.510900      -1.275600    
 H    5.447000      0.1696000      0.9890000    
 H    6.423900     -0.9586000     -2.0000001E-03
 H    2.176800     -2.0900000E-02  -1.675000    
 H   0.5054000      -2.576400       1.400100    
 H    9.299000       3.334800       1.637800    
 H    10.36030       2.280700      0.6826000    
 H    10.13900       3.975700      0.2153000    
 H    4.688600      -2.004400       1.222100    
 H    2.715000      -2.997100       2.260100    


%chk=000059980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059980

0 1
O -2.241578 0.240402 -0.413692
O -1.535997 -1.613547 0.868385
O 4.712711 0.628431 -0.184749
N -6.419407 0.789238 0.239099
N -0.029045 -0.052339 -0.097340
C -3.668455 -0.129184 -0.162201
C -4.137273 0.430273 1.190437
C -4.486397 0.464986 -1.313098
C -5.651200 0.181185 1.356559
C -5.991494 0.221575 -1.064239
C -7.885008 0.685668 0.461979
C -8.720524 1.606128 -0.452437
C -10.219674 1.570789 -0.082856
C -1.274733 -0.584685 0.194959
C 1.246205 -0.535325 0.305858
C 8.496132 1.096686 -0.022952
C 7.015227 1.336833 -0.396453
C 9.444300 2.159810 -0.623406
C 6.091944 0.271796 0.198388
C 2.374774 0.215887 -0.098979
C 3.673798 -0.199187 0.270775
C 1.413047 -1.714217 1.083949
C 10.920971 1.935090 -0.233691
C 3.859449 -1.370996 1.046777
C 2.718198 -2.107655 1.438074
H -3.731679 -1.235098 -0.153500
H -3.582808 -0.052418 2.014987
H -3.942234 1.518220 1.217429
H -4.297296 1.552555 -1.368730
H -4.183127 0.010417 -2.274028
H -5.996986 0.631363 2.305029
H -5.837777 -0.924086 1.426805
H -6.203265 -0.881265 -1.110932
H -6.571192 0.698787 -1.872607
H -8.078854 0.974962 1.513769
H -8.244201 -0.372213 0.349002
H -8.326239 2.636171 -0.363095
H -8.602984 1.308693 -1.512572
H -10.629019 0.546065 -0.166864
H -10.382085 1.913222 0.956648
H -10.810616 2.224996 -0.749017
H -0.051869 0.797913 -0.664531
H 8.606242 1.095289 1.081821
H 8.812893 0.090663 -0.369874
H 6.691144 2.331556 -0.034447
H 6.897127 1.341215 -1.497123
H 9.120427 3.166000 -0.288161
H 9.345534 2.153149 -1.727794
H 6.174615 0.248342 1.305487
H 6.339765 -0.735872 -0.196634
H 2.270693 1.128288 -0.697029
H 0.539836 -2.289702 1.394208
H 11.051262 1.970454 0.864503
H 11.278405 0.947462 -0.581800
H 11.577353 2.706498 -0.676341
H 4.856210 -1.708388 1.342139
H 2.852456 -3.015282 2.037308


