%chk=000076729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076729

0 1
 O   -2.366700       1.346400     -0.4282000    
 O    2.347300       1.363600     -0.4248000    
 O   -1.351800       1.295800       1.638800    
 O    1.329800       1.306200       1.640800    
 N    1.211800      -1.833700     -0.3762000    
 C  -9.2000002E-03   1.238400     -0.4016000    
 C  -3.5999999E-03  2.2000000E-02  -1.347800    
 C   1.5000000E-03  -1.318400     -0.6485000    
 C   -1.292600       1.295200      0.4166000    
 C    1.272400       1.305400      0.4185000    
 C   -1.204400      -1.908100     -0.3445000    
 C   -3.648500       1.404600      0.2055000    
 C    3.627800       1.430100      0.2109000    
 C   -1.165300      -3.140300      0.2986000    
 C    1.210100      -3.032300      0.2491000    
 C   6.1000001E-02  -3.719900      0.6046000    
 C   -4.723300       1.456200     -0.8594000    
 C    4.703700       1.488800     -0.8523000    
 H  -1.2000000E-02   2.159700      -1.002000    
 H   0.8759000      6.4400002E-02  -2.004000    
 H  -0.8628000      6.5700002E-02  -2.030100    
 H   -2.156200      -1.454000     -0.5939000    
 H   -3.705400       2.301300      0.8326000    
 H   -3.788000      0.5146000      0.8291000    
 H    3.771800      0.5406000      0.8344000    
 H    3.678000       2.326800      0.8385000    
 H   -2.088700      -3.648800      0.5591000    
 H    2.191600      -3.441100      0.4656000    
 H   0.1155000      -4.679800       1.105200    
 H   -4.666800      0.5744000      -1.506100    
 H   -4.586400       2.331500      -1.503000    
 H   -5.718700       1.501000     -0.4089000    
 H    4.562300       2.363400      -1.495800    
 H    4.653900      0.6068000      -1.499400    
 H    5.698200       1.539700     -0.4002000    


%chk=000076729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076729

0 1
O -2.194785 1.093282 -0.285135
O 2.412429 1.484997 -0.435161
O -1.402725 3.268594 -0.063904
O 0.918893 1.380196 1.357206
N 0.922831 -1.408954 -0.213243
C 0.091476 1.553250 -0.986995
C 0.011709 0.223160 -1.804181
C -0.142892 -1.058081 -1.001569
C -1.220376 2.077656 -0.401581
C 1.144182 1.458011 0.132027
C -1.298229 -1.872425 -1.101683
C -3.472233 1.523853 0.368787
C 3.541241 1.181165 0.495820
C -1.355436 -3.084189 -0.380094
C 0.850040 -2.574096 0.490852
C -0.259549 -3.447163 0.435880
C -4.392541 0.308234 0.389159
C 4.818194 1.202468 -0.337368
H 0.448746 2.339721 -1.677891
H 0.961251 0.154202 -2.366349
H -0.812976 0.311819 -2.532205
H -2.136615 -1.546461 -1.724665
H -3.890956 2.368078 -0.208259
H -3.224699 1.886874 1.382081
H 3.339165 0.191242 0.942926
H 3.543984 1.939080 1.299880
H -2.237681 -3.729866 -0.448632
H 1.718231 -2.811213 1.116783
H -0.261477 -4.376167 1.014631
H -3.926761 -0.526569 0.939969
H -4.624834 -0.032172 -0.635015
H -5.342576 0.569841 0.889952
H 4.972605 2.192583 -0.799755
H 4.775920 0.444572 -1.138054
H 5.688642 0.980678 0.306986


