%chk=000044625.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044625

1 1
 O   0.7077000      0.5832000      3.5999999E-03
 O  -0.7752000       1.952900       1.112300    
 N    3.197600      0.7513000      0.2241000    
 C    5.540500     -8.9900002E-02 -0.4562000    
 C    4.271100       1.563000      0.9617000    
 C    3.339800     -0.7318000      0.5923000    
 C    3.386000      0.9185000      -1.289800    
 C    5.655100       1.058700      0.5517000    
 C    4.730900      -1.220600      0.1879000    
 C    4.775500      0.4164000      -1.683400    
 C    1.817000       1.247100      0.6252000    
 C  -0.5404000       1.036200      0.3353000    
 C   -1.593300      0.2591000     -0.4486000    
 C   -3.000700      0.8119000     -0.2631000    
 C   -1.537700      -1.246400     -0.2244000    
 C   -3.778600      0.3205000      0.7644000    
 C   -1.933900      -2.086500      -1.244100    
 C   -3.452400       1.786500      -1.128100    
 C   -1.092300      -1.722700      0.9911000    
 C   -5.067100      0.8266000      0.9346000    
 C   -1.882700      -3.465200      -1.039100    
 C   -4.741100       2.292800     -0.9578000    
 C   -1.041000      -3.101500       1.196100    
 C   -5.548400       1.812800      7.3600002E-02
 C   -1.436300      -3.972800      0.1809000    
 H    6.534700     -0.4469000     -0.7448000    
 H    4.102400       1.439700       2.037500    
 H    4.134400       2.617300      0.6958000    
 H    2.556000      -1.287000      6.4999998E-02
 H    3.179900     -0.8246000       1.672500    
 H    3.260900       1.981200      -1.526400    
 H    2.600500      0.3439000      -1.793300    
 H    6.234900       1.884800      0.1223000    
 H    6.204900      0.7298000       1.442000    
 H    5.254900      -1.608500       1.069900    
 H    4.636500      -2.063900     -0.5071000    
 H    4.680100     -0.3832000      -2.428100    
 H    5.333200       1.224500      -2.172200    
 H    1.780200       2.314800      0.3759000    
 H    1.740500       1.126600       1.712900    
 H   -1.318300      0.4276000      -1.502400    
 H   -3.432600     -0.4273000       1.468300    
 H   -2.283500      -1.699900      -2.196700    
 H   -2.830500       2.168500      -1.931900    
 H  -0.7941000      -1.068400       1.804100    
 H   -5.694200      0.4572000       1.740900    
 H   -2.191000      -4.143700      -1.829300    
 H   -5.115500       3.061500      -1.627600    
 H  -0.6969000      -3.497000       2.147200    
 H   -6.551100       2.208100      0.2070000    
 H   -1.397300      -5.046200      0.3409000    


%chk=000044625-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044625

1 1
O 0.694133 1.403137 -0.712825
O -0.282226 1.231977 1.416013
N 3.012928 1.073533 -0.009999
C 5.049394 -0.532311 0.182399
C 4.195677 1.798030 0.667074
C 2.634975 -0.159538 0.842355
C 3.449830 0.599172 -1.413597
C 5.469366 0.913618 0.559243
C 3.916026 -0.986886 1.139255
C 4.503954 -0.531756 -1.270310
C 1.832091 2.055592 -0.121378
C -0.380472 1.012961 0.200621
C -1.478143 0.321431 -0.591595
C -2.869505 0.767773 -0.107505
C -1.226321 -1.200037 -0.559780
C -3.530160 0.142412 0.976211
C -1.453562 -1.948334 -1.742214
C -3.492302 1.859132 -0.764123
C -0.811811 -1.877220 0.616807
C -4.795960 0.605260 1.398460
C -1.277451 -3.349420 -1.749372
C -4.758300 2.321728 -0.342077
C -0.632990 -3.280017 0.607290
C -5.412635 1.695849 0.743353
C -0.864289 -4.020183 -0.574420
H 5.913321 -1.211034 0.265138
H 3.893387 1.974599 1.713127
H 4.316419 2.773702 0.165997
H 1.893602 -0.728452 0.258464
H 2.142618 0.219428 1.752756
H 3.853766 1.489845 -1.925536
H 2.535693 0.276796 -1.936241
H 6.161876 1.318441 -0.199261
H 6.000325 0.923961 1.526076
H 4.230561 -0.855770 2.189574
H 3.694978 -2.058107 0.995658
H 4.057049 -1.512417 -1.509344
H 5.321289 -0.361002 -1.991511
H 2.142864 2.863866 -0.801440
H 1.604599 2.424928 0.894755
H -1.355074 0.655363 -1.637206
H -3.073315 -0.713124 1.483183
H -1.786681 -1.437388 -2.653365
H -2.992845 2.345259 -1.612218
H -0.650624 -1.319739 1.547836
H -5.303108 0.112132 2.234555
H -1.468974 -3.916812 -2.666243
H -5.233627 3.161382 -0.860113
H -0.330681 -3.795310 1.525630
H -6.395680 2.050060 1.070984
H -0.734884 -5.107513 -0.578541


