%chk=000039609.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039609

0 1
 O    3.113600      0.1146000      -1.779300    
 O   -1.271400      -1.093500      0.2931000    
 N    1.047600      0.6089000      9.1100000E-02
 N   -3.425800       1.613000      8.9000002E-02
 N   -3.227800      0.2267000      1.3000000E-02
 C    2.456000      0.5320000      0.5368000    
 C    3.196700     -0.4127000     -0.4472000    
 C   0.9274000       1.067500      -1.296900    
 C   0.1882000       1.378400      0.9834000    
 C    1.757100      0.1801000      -2.219600    
 C    3.147200       1.901800      0.6732000    
 C   -1.241400       1.270200      0.6133000    
 C    4.640100     -0.6819000     -6.2500000E-02
 C   -2.221900       2.181300      0.5025000    
 C   -1.877500     -3.4200002E-02  0.2614000    
 C    5.654700      0.1486000     -0.5376000    
 C    4.951200      -1.760000      0.7658000    
 C   -2.110900       3.652200      0.7280000    
 C   -4.287500     -0.7145000      1.9500000E-02
 C   -4.243000       2.254900     -0.9364000    
 C    6.981200     -9.8999999E-02 -0.1842000    
 C    6.277600      -2.007600       1.119200    
 C    7.292600      -1.177000      0.6443000    
 C   -4.048600      -2.047200     -0.3301000    
 C   -5.580100     -0.3168000      0.3746000    
 C   -5.092000      -2.972800     -0.3248000    
 C   -6.623500      -1.242400      0.3800000    
 C   -6.379400      -2.570600      3.0300001E-02
 H    2.470800      5.8600001E-02   1.527900    
 H    2.689800      -1.389700     -0.4594000    
 H    1.264500       2.107200      -1.388400    
 H  -0.1038000       1.030500      -1.663200    
 H   0.2947000      0.9992000       2.007500    
 H   0.4843000       2.431900      0.9995000    
 H    1.343500     -0.8342000      -2.278500    
 H    1.756800      0.5937000      -3.233200    
 H    3.260700       2.411100     -0.2887000    
 H    2.601300       2.567800       1.347900    
 H    4.142700       1.793700       1.115200    
 H    5.436100      0.9963000      -1.181000    
 H    4.169400      -2.412800       1.144600    
 H   -2.201800       4.195800     -0.2176000    
 H   -1.157900       3.933200       1.184700    
 H   -2.904900       3.993000       1.400900    
 H   -3.632400       2.494100      -1.815000    
 H   -4.668200       3.186900     -0.5491000    
 H   -5.073900       1.637200      -1.285600    
 H    7.771500      0.5482000     -0.5531000    
 H    6.520100      -2.846500       1.764900    
 H    8.325300      -1.369500      0.9199000    
 H   -3.068000      -2.393600     -0.6400000    
 H   -5.805300      0.6981000      0.6897000    
 H   -4.903800      -4.005800     -0.6031000    
 H   -7.624600     -0.9315000      0.6644000    
 H   -7.191800      -3.291400      3.5000000E-02


%chk=000039609-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039609

0 1
O 3.441451 0.968723 -1.723527
O -1.510171 -1.374975 0.902664
N 1.126324 0.922630 -0.035653
N -3.457757 1.403427 -0.185533
N -3.277496 -0.003592 0.026157
C 2.458520 0.523900 0.512146
C 3.284026 -0.061628 -0.676621
C 1.215005 1.906138 -1.133364
C 0.118329 1.255528 1.003186
C 2.120817 1.355156 -2.247026
C 3.221705 1.650147 1.258770
C -1.293397 1.070002 0.517009
C 4.660202 -0.560053 -0.270251
C -2.208084 2.012493 0.076228
C -1.939053 -0.249095 0.515899
C 5.837302 0.144146 -0.619993
C 4.767525 -1.750018 0.493538
C -2.036575 3.490559 -0.138324
C -4.407442 -0.853837 0.217818
C -4.245290 1.784078 -1.382804
C 7.102153 -0.331101 -0.204371
C 6.030647 -2.222966 0.912277
C 7.204278 -1.512649 0.565765
C -4.262305 -2.245952 -0.015976
C -5.651502 -0.330723 0.659335
C -5.365480 -3.101029 0.187106
C -6.750648 -1.197357 0.838673
C -6.615541 -2.585180 0.603333
H 2.266680 -0.309134 1.216948
H 2.680776 -0.898596 -1.094479
H 1.599767 2.901003 -0.792796
H 0.200322 2.063297 -1.546588
H 0.281137 0.553941 1.843361
H 0.249342 2.291322 1.405699
H 1.636931 0.469572 -2.711745
H 2.321929 2.118882 -3.017253
H 3.585666 2.420641 0.556883
H 2.570897 2.133181 2.010132
H 4.098031 1.236224 1.787045
H 5.747408 1.049473 -1.226821
H 3.862486 -2.313575 0.754702
H -2.048661 3.764294 -1.210887
H -1.068537 3.815886 0.274510
H -2.835129 4.066051 0.364182
H -3.726844 1.503991 -2.321441
H -4.407402 2.873132 -1.361158
H -5.225731 1.285125 -1.354779
H 8.008044 0.219444 -0.483570
H 6.100258 -3.145116 1.500498
H 8.185655 -1.879905 0.887097
H -3.292329 -2.639355 -0.327817
H -5.738322 0.735305 0.894702
H -5.247142 -4.176150 0.013012
H -7.708302 -0.788452 1.180075
H -7.468976 -3.255755 0.750127


