%chk=000004740.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004740

0 1
 O   0.6376000       2.024500      0.7478000    
 O   0.2415000      -2.641300      0.4498000    
 O   -6.193300      0.2065000      0.8634000    
 N   0.4151000     -0.3104000      0.6066000    
 N    2.277000      -1.673800     -0.1287000    
 N    3.444000       1.627900     -0.2084000    
 N    4.297800     -0.3787000     -0.6724000    
 C  -0.9675000     -0.2387000       1.067300    
 C   -1.956800     -8.7499999E-02 -8.4299996E-02
 C   -3.408600      1.7000001E-02  0.3991000    
 C    2.449600      0.7242000      3.3900000E-02
 C    1.112300      0.9216000      0.4909000    
 C    2.998300     -0.4948000     -0.2575000    
 C   0.9320000      -1.624600      0.3161000    
 C   -4.397300      0.1600000     -0.7575000    
 C    4.536700      0.9159000     -0.6315000    
 C    2.905300      -2.948900     -0.4515000    
 C    3.384500       3.061900     -5.6600001E-02
 C   -5.847800      0.2622000     -0.3157000    
 C   -6.860400      0.4769000      -1.410700    
 H   -1.207500      -1.139900       1.643300    
 H   -1.074100      0.6092000       1.754400    
 H   -1.705200      0.8053000     -0.6703000    
 H   -1.860300     -0.9421000     -0.7656000    
 H   -3.508600      0.8765000       1.073700    
 H   -3.661900     -0.8735000      0.9879000    
 H   -4.313600     -0.7056000      -1.424300    
 H   -4.159400       1.062400      -1.332000    
 H    5.472800       1.389700     -0.8943000    
 H    2.217100      -3.784800     -0.3021000    
 H    3.777100      -3.089600      0.1949000    
 H    3.221000      -2.934600      -1.499200    
 H    4.347700       3.498800     -0.3322000    
 H    2.602200       3.447500     -0.7150000    
 H    3.160900       3.290300      0.9884000    
 H   -6.672000       1.435100      -1.900900    
 H   -6.794100     -0.3379000      -2.136000    
 H   -7.867700      0.4868000     -0.9852000    


%chk=000004740-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004740

0 1
O 0.598535 2.071883 0.767886
O 0.202408 -2.617495 0.405051
O -6.223964 0.173966 0.915148
N 0.437096 -0.286261 0.604901
N 2.276722 -1.669327 -0.137102
N 3.544296 1.659790 -0.198909
N 4.354652 -0.429858 -0.671559
C -0.978098 -0.212969 1.063453
C -1.972076 -0.080125 -0.110215
C -3.426185 0.010652 0.399582
C 2.500148 0.752881 0.042829
C 1.146777 0.958593 0.491278
C 3.031934 -0.512634 -0.256663
C 0.931222 -1.590329 0.295050
C -4.436829 0.144706 -0.753423
C 4.624743 0.902160 -0.621178
C 2.866555 -2.982808 -0.462815
C 3.488232 3.120122 -0.027946
C -5.897448 0.239480 -0.299511
C -6.941842 0.419751 -1.398323
H -1.187907 -1.131753 1.635234
H -1.053505 0.666470 1.724951
H -1.720267 0.825373 -0.695950
H -1.860083 -0.956454 -0.777793
H -3.537194 0.875307 1.081565
H -3.676871 -0.885107 0.998885
H -4.351360 -0.717792 -1.448688
H -4.209160 1.038140 -1.372829
H 5.583209 1.345947 -0.879970
H 2.092635 -3.745619 -0.296273
H 3.738480 -3.174702 0.184371
H 3.198909 -2.998183 -1.514184
H 4.467676 3.546717 -0.297230
H 2.705755 3.550990 -0.672655
H 3.247601 3.373897 1.016680
H -6.780178 1.379155 -1.926248
H -6.855996 -0.382188 -2.155627
H -7.954224 0.411125 -0.966175


