%chk=000125938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125938

0 1
 O    5.228900     -0.3488000      0.3049000    
 N  -3.0000001E-04   1.329800     -0.3296000    
 N   0.7694000      -2.752700      0.2244000    
 N   -4.712700      0.4973000     -0.6181000    
 N   -5.258300      0.8027000      0.4649000    
 N   -5.762000       1.083200       1.449800    
 C    1.571300     -0.4590000      1.4900000E-02
 C  -0.8083000     -0.9272000     -0.1251000    
 C   0.5089000      -1.368400      3.6600001E-02
 C    1.266500      0.8996000     -0.1734000    
 C   -1.019900      0.4498000     -0.3079000    
 C    2.904700     -0.8745000      0.1749000    
 C   -1.895200      -1.818700     -0.1075000    
 C    2.320000       1.809800     -0.1958000    
 C   -2.329300      0.8952000     -0.4692000    
 C    3.939700      5.5500001E-02  0.1486000    
 C    3.646300       1.400400     -3.7000000E-02
 C   -3.411500      1.2000000E-02 -0.4523000    
 C   -3.194500      -1.347900     -0.2710000    
 C    6.236200      0.6616000      0.2679000    
 H    3.185700      -1.912100      0.3230000    
 H   -1.785500      -2.889000      2.9899999E-02
 H    2.114700       2.869200     -0.3400000    
 H   -2.514400       1.959200     -0.6134000    
 H    4.395500       2.184100     -6.9200002E-02
 H   -4.026200      -2.046900     -0.2566000    
 H    1.706400      -3.104900      0.3444000    
 H   2.6300000E-02  -3.433800      0.2459000    
 H    6.121300       1.374100       1.091800    
 H    6.271900       1.158000     -0.7077000    
 H    7.200500      0.1623000      0.4086000    


%chk=000125938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125938

0 1
O 5.339484 -0.450298 0.132436
N 0.055290 1.483086 -0.149581
N 0.760340 -2.729542 0.259021
N -4.710647 0.913279 -0.190818
N -5.777929 0.235718 -0.147274
N -6.881095 -0.206331 -0.127345
C 1.632945 -0.448812 0.061728
C -0.807171 -0.850914 0.054472
C 0.527643 -1.372414 0.127720
C 1.326074 0.967849 -0.076445
C -0.982706 0.591734 -0.085662
C 3.000319 -0.861482 0.126195
C -1.981966 -1.676557 0.110438
C 2.421528 1.895031 -0.141263
C -2.312649 1.124933 -0.162809
C 4.037758 0.073534 0.058875
C 3.745998 1.473854 -0.076570
C -3.424313 0.286393 -0.105239
C -3.261071 -1.139448 0.034269
C 6.462463 0.489207 0.073568
H 3.294959 -1.911379 0.231345
H -1.896295 -2.765093 0.215581
H 2.164138 2.953380 -0.244562
H -2.427644 2.206352 -0.267816
H 4.553322 2.210302 -0.128919
H -4.140788 -1.791354 0.079406
H 1.706005 -3.095216 0.305580
H -0.003927 -3.395349 0.306967
H 6.435981 1.205171 0.917638
H 6.477794 1.042805 -0.885168
H 7.362260 -0.138540 0.150933


