%chk=000048154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048154

0 1
 O  -0.2610000     -0.9943000      -2.212700    
 O   0.2309000      0.7866000       2.104300    
 O    2.954400      -2.603100      0.6386000    
 N    1.409100      -1.728600     -0.8219000    
 N    1.654400     -0.8394000       1.334800    
 C   0.2714000      0.3779000     -0.2855000    
 C   -1.175700      0.8896000     -0.3318000    
 C   -2.211700     -0.1173000      0.2106000    
 C    1.212300       1.462500     -0.8399000    
 C   0.4106000     -0.8405000      -1.192800    
 C   0.6788000      0.1314000       1.163700    
 C   -3.611600      0.5307000      0.1715000    
 C    1.170100       2.710300      2.8000001E-02
 C   -2.178700      -1.434600     -0.5704000    
 C   -4.714400     -0.3505000      0.7417000    
 C    2.081800       3.789800     -0.5328000    
 C    2.079400      -1.770500      0.3947000    
 H   -1.446300       1.165500      -1.360500    
 H   -1.297500       1.797500      0.2678000    
 H   -1.989300     -0.3453000       1.260200    
 H   0.9340000       1.713900      -1.872200    
 H    2.244300       1.089300     -0.8855000    
 H   -3.587900       1.462800      0.7498000    
 H   -3.872500      0.8049000     -0.8582000    
 H    1.517300       2.514600       1.046100    
 H   0.1704000       3.145900      8.8399999E-02
 H   -2.373200      -1.298000      -1.637000    
 H   -3.001800      -2.074300     -0.2285000    
 H   -1.317600      -2.062900     -0.3441000    
 H    1.617900      -2.476400      -1.477500    
 H    2.044400     -0.9315000       2.268700    
 H   -4.439700     -0.7435000       1.725400    
 H   -5.633300      0.2341000      0.8573000    
 H   -4.950000      -1.188300      7.9499997E-02
 H    3.119900       3.444800     -0.5772000    
 H    1.772700       4.080500      -1.542000    
 H    2.049200       4.682100      0.1007000    


%chk=000048154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048154

0 1
O 0.146157 -0.680709 -2.543743
O 0.271261 0.639441 2.124675
O 2.845348 -2.880765 0.531519
N 1.496183 -1.723769 -0.988534
N 1.588725 -1.051779 1.271693
C 0.276591 0.377283 -0.323881
C -1.224263 0.794612 -0.399218
C -2.269934 -0.162847 0.239483
C 1.211810 1.588276 -0.780905
C 0.589624 -0.712594 -1.367749
C 0.672060 0.009826 1.111302
C -3.679367 0.468837 0.050106
C 1.139821 2.883267 0.057079
C -2.216893 -1.602701 -0.323652
C -4.805151 -0.222999 0.848903
C 2.169426 3.917803 -0.451465
C 2.040089 -1.948384 0.287516
H -1.458325 0.936911 -1.472330
H -1.323855 1.774040 0.100041
H -2.071218 -0.204630 1.330492
H 0.929613 1.806435 -1.829375
H 2.262671 1.231305 -0.799344
H -3.630609 1.534088 0.356014
H -3.932238 0.465033 -1.030811
H 1.321945 2.665638 1.124804
H 0.126248 3.320842 -0.004139
H -2.358685 -1.607382 -1.420437
H -3.004394 -2.229971 0.129973
H -1.254550 -2.104120 -0.105847
H 1.774598 -2.392608 -1.714169
H 1.920819 -1.235402 2.224426
H -4.568773 -0.242376 1.929668
H -5.763332 0.313992 0.723891
H -4.965938 -1.265254 0.519151
H 3.202660 3.532960 -0.360137
H 1.996430 4.169011 -1.514814
H 2.106547 4.854392 0.131113


