%chk=000005542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005542

0 1
 O    7.728100      0.3840000     -0.6627000    
 N    4.762500      0.1757000      0.5659000    
 N    5.768100      0.7728000     -9.8600000E-02
 N    6.927700      0.3208000      0.2762000    
 C   -5.693200      0.7761000     -0.3425000    
 C   -7.034700      0.2210000      0.1432000    
 C   -4.639900     -0.2844000     -0.4846000    
 C   -8.104300       1.292300      0.3061000    
 C   -3.482500     -0.2810000      0.1936000    
 C   -2.429200      -1.340100      4.9699999E-02
 C   -1.128400     -0.7617000     -0.4283000    
 C   1.8300001E-02 -0.8430000      0.2634000    
 C    1.267100     -0.2862000     -0.2068000    
 C    2.405500     -0.3734000      0.4922000    
 C    3.634900      0.2270000     -6.6900000E-02
 H   -5.357500       1.562000      0.3455000    
 H   -5.831400       1.254900      -1.319600    
 H   -6.895400     -0.2862000       1.106000    
 H   -7.397700     -0.5361000     -0.5628000    
 H   -4.842700      -1.083000      -1.193800    
 H   -7.794100       2.045000       1.037900    
 H   -8.298400       1.797100     -0.6455000    
 H   -9.040900      0.8447000      0.6527000    
 H   -3.284400      0.5176000      0.9050000    
 H   -2.745100      -2.113200     -0.6612000    
 H   -2.305100      -1.837800       1.019100    
 H   -1.140400     -0.2687000      -1.398500    
 H   2.7899999E-02  -1.344400       1.228000    
 H    1.251100      0.2182000      -1.169900    
 H    2.469300     -0.8662000       1.455900    
 H    3.527600      0.7223000      -1.051100    
 H    5.673200      0.7317000      -1.112200    


%chk=000005542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005542

0 1
O 8.102113 1.034087 -0.148099
N 4.832767 0.001299 0.442727
N 5.944554 0.547621 -0.149514
N 7.161798 0.480629 0.532391
C -5.767730 0.806199 -0.300871
C -7.132666 0.269337 0.212169
C -4.720690 -0.278155 -0.437632
C -8.205437 1.376134 0.296960
C -3.530008 -0.305551 0.217019
C -2.486516 -1.407737 0.079459
C -1.175505 -0.877706 -0.462056
C 0.027253 -0.934890 0.195691
C 1.265168 -0.398822 -0.338188
C 2.481146 -0.457823 0.313474
C 3.695095 0.087806 -0.240728
H -5.403441 1.599385 0.381278
H -5.936183 1.287957 -1.287974
H -6.986367 -0.193377 1.207612
H -7.482406 -0.539229 -0.461159
H -4.972161 -1.110868 -1.115888
H -7.888410 2.183944 0.983117
H -8.386410 1.830960 -0.695448
H -9.167616 0.977187 0.666689
H -3.267097 0.520683 0.894977
H -2.883761 -2.189023 -0.600701
H -2.308549 -1.889986 1.061540
H -1.223674 -0.392709 -1.449585
H 0.071606 -1.411306 1.186511
H 1.213752 0.083777 -1.327017
H 2.563963 -0.932394 1.299286
H 3.638158 0.573581 -1.236287
H 5.943253 1.016790 -1.084352


