%chk=000021433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021433

0 1
 O    5.221200      -1.022400      0.2877000    
 O    3.590700      -2.394000     -0.2407000    
 N  -0.4791000      0.4823000     -0.6310000    
 N    4.016300      -1.241700      1.4900000E-02
 C   0.8750000      0.7017000     -0.3262000    
 C   -2.694200     -2.3900000E-02  0.2124000    
 C    1.761900     -0.3704000     -0.3070000    
 C    3.106000     -0.1518000     -4.6999999E-03
 C    1.319400       1.990300     -4.6100002E-02
 C    3.556800       1.138000      0.2767000    
 C    2.663300       2.209100      0.2561000    
 C   -1.270400      0.2233000      0.3739000    
 C   -3.485700     -0.2967000       1.328300    
 C   -3.268800      1.2000000E-02  -1.058200    
 C   -4.851500     -0.5335000       1.173500    
 C   -4.634700     -0.2248000      -1.212800    
 C   -5.426000     -0.4975000     -9.6900001E-02
 H    1.383800      -1.365300     -0.5314000    
 H   0.6304000       2.830600     -6.0800001E-02
 H    4.596500       1.346100      0.5159000    
 H    3.013900       3.213500      0.4751000    
 H  -0.8705000      0.1835000       1.404900    
 H   -3.052600     -0.3281000       2.324700    
 H   -2.677300      0.2220000      -1.945300    
 H   -5.467800     -0.7458000       2.042300    
 H   -5.082500     -0.1969000      -2.201900    
 H   -6.489500     -0.6819000     -0.2173000    


%chk=000021433-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021433

0 1
O 5.190323 -1.071476 0.639249
O 3.316638 -2.361230 0.793900
N -0.538022 0.801539 -0.365881
N 3.911715 -1.236738 0.569116
C 0.867739 0.882673 -0.211168
C -2.719825 -0.116611 0.222320
C 1.677149 -0.233319 0.136012
C 3.073236 -0.060970 0.214389
C 1.495251 2.130810 -0.490746
C 3.706795 1.175814 -0.034181
C 2.893501 2.274770 -0.387273
C -1.272787 0.054259 0.422274
C -3.455039 -0.930691 1.127582
C -3.398562 0.513139 -0.859577
C -4.843282 -1.114682 0.956542
C -4.783635 0.328347 -1.027129
C -5.510133 -0.485519 -0.120699
H 1.250559 -1.225653 0.308897
H 0.859614 2.971584 -0.785033
H 4.794402 1.251890 0.036658
H 3.355681 3.245056 -0.594807
H -0.840436 -0.476105 1.298507
H -2.934666 -1.417640 1.962128
H -2.816173 1.135790 -1.546232
H -5.403463 -1.743703 1.656555
H -5.303678 0.813718 -1.860263
H -6.588301 -0.627352 -0.255043


