%chk=000003344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003344

0 1
 O   -3.325600     -0.9004000     -3.9600000E-02
 O   -5.175000      -2.080300     -0.7000000    
 N  -0.1615000      0.7724000     -0.1552000    
 N   -5.318400      0.1127000      6.0699999E-02
 C   -3.054300      0.4893000      0.2650000    
 C   -2.057100      0.5619000       1.424400    
 C   -2.461200       1.157400     -0.9846000    
 C  -0.6717000      4.9100000E-02   1.016900    
 C   -1.062400      0.6200000      -1.305200    
 C   -4.417200       1.058600      0.6341000    
 C    1.184300      0.3108000     -0.4951000    
 C   -4.668300      -1.052500     -0.2739000    
 C    2.162200      0.5840000      0.6483000    
 C    3.558700      0.1329000      0.3017000    
 C    3.952100      -1.161100      0.6081000    
 C    4.426600       1.019300     -0.3181000    
 C    5.243800      -1.578600      0.2874000    
 C    5.718300      0.6017000     -0.6390000    
 C    6.126800     -0.6973000     -0.3361000    
 H   -2.413700     -4.4500001E-02   2.266500    
 H   -1.972000       1.597800       1.777700    
 H   -2.403000       2.243200     -0.8341000    
 H   -3.104800      0.9822000      -1.855500    
 H  -4.6300001E-02  0.2042000       1.899600    
 H  -0.7124000      -1.031600      0.8277000    
 H   -1.128500     -0.4309000      -1.615900    
 H  -0.6720000       1.185600      -2.160200    
 H   -4.596100       1.063800       1.714300    
 H   -4.611300       2.057800      0.2350000    
 H    1.181600     -0.7586000     -0.7467000    
 H    1.536300      0.8431000      -1.388700    
 H   -6.323700      0.2397000      1.1000000E-03
 H    1.891300      6.4499997E-02   1.572800    
 H    2.172200       1.654000      0.8954000    
 H    3.271200      -1.856400       1.091100    
 H    4.117100       2.032200     -0.5597000    
 H    5.561800      -2.590100      0.5225000    
 H    6.405900       1.287600      -1.125100    
 H    7.132500      -1.022400     -0.5862000    


%chk=000003344-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003344

0 1
O -3.453174 -0.885470 -0.136782
O -5.399546 -2.010838 -0.832624
N -0.181595 0.606059 -0.051308
N -5.430921 0.223376 -0.027190
C -3.111932 0.535587 0.261837
C -2.158003 0.461729 1.463347
C -2.422824 1.207353 -0.943778
C -0.797433 -0.148431 1.071784
C -1.061387 0.554459 -1.250326
C -4.502577 1.169746 0.598632
C 1.199136 0.153103 -0.353859
C -4.850325 -0.988892 -0.381890
C 2.234871 0.628912 0.701047
C 3.646706 0.201122 0.328299
C 4.133310 -1.083124 0.686774
C 4.492279 1.056362 -0.424594
C 5.427935 -1.501952 0.305676
C 5.788319 0.642901 -0.808505
C 6.260678 -0.639517 -0.444862
H -2.624295 -0.140506 2.265115
H -2.000373 1.488963 1.846143
H -2.261421 2.275635 -0.700092
H -3.084496 1.148493 -1.828742
H -0.122902 -0.110631 1.944761
H -0.944772 -1.224088 0.802688
H -1.229621 -0.495071 -1.595797
H -0.566621 1.105140 -2.071160
H -4.656578 1.237510 1.694660
H -4.590703 2.182750 0.166926
H 1.261277 -0.960413 -0.452798
H 1.488020 0.575155 -1.335178
H -6.439259 0.349028 -0.075078
H 1.971123 0.215295 1.692757
H 2.160784 1.729336 0.774634
H 3.495268 -1.755232 1.274891
H 4.133392 2.054839 -0.705092
H 5.788368 -2.495812 0.595134
H 6.429403 1.319596 -1.385184
H 7.266088 -0.961370 -0.738867


