%chk=000100557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100557

0 1
 O   -3.842100       1.715700      0.8684000    
 O   0.1891000      -1.143800     -0.3652000    
 O    4.712900      0.6599000      -2.311900    
 O    4.895900      -1.171600       1.891900    
 N   -1.395500      0.4514000      0.3188000    
 N    2.889100      0.7898000     -0.9080000    
 N    2.954500     -0.1441000       1.255500    
 N    4.827900     -0.2690000     -0.2013000    
 C   0.9233000      0.9617000      0.5205000    
 C   -2.629800     -0.1887000      5.5399999E-02
 C    2.334700      0.4948000      0.3148000    
 C  -0.1165000     -4.9899999E-02  9.8499998E-02
 C   -3.821200      0.4604000      0.3373000    
 C   -2.615400      -1.465100     -0.4846000    
 C   -5.029900     -0.1835000      7.2200000E-02
 C   -3.824100      -2.108900     -0.7496000    
 C   -5.031300      -1.468200     -0.4711000    
 C    4.184500      0.4147000      -1.228600    
 C    4.253100     -0.5619000       1.036500    
 C   -3.859200       2.806500     -4.9600001E-02
 H   0.7587000       1.884500     -4.8400000E-02
 H   0.7800000       1.185800       1.584300    
 H   -1.472000       1.384000      0.7192000    
 H   -1.728800      -2.030200     -0.7291000    
 H    2.345800       1.292100      -1.604000    
 H   -5.974400      0.3091000      0.2871000    
 H   -3.826900      -3.109300      -1.172800    
 H   -5.972400      -1.969600     -0.6773000    
 H    5.782500     -0.5764000     -0.3630000    
 H   -4.778300       2.790300     -0.6439000    
 H   -2.986200       2.775800     -0.7092000    
 H   -3.830600       3.737000      0.5239000    


%chk=000100557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100557

0 1
O -3.321895 1.701963 0.798779
O 0.306463 -0.707461 -1.480943
O 4.446290 -2.158876 -0.952149
O 5.279155 1.327351 2.062870
N -1.215489 0.630857 -0.305603
N 2.846990 -0.462606 -0.633174
N 3.213986 1.339313 0.914441
N 4.859090 -0.396971 0.551073
C 1.137806 1.320125 -0.368652
C -2.443028 -0.047256 -0.553933
C 2.474193 0.703625 0.017783
C 0.042228 0.313759 -0.757497
C -3.597213 0.539463 0.051434
C -2.582106 -1.218955 -1.331680
C -4.870088 -0.036521 -0.119749
C -3.863021 -1.793975 -1.501339
C -4.998655 -1.209953 -0.901741
C 4.086301 -1.098096 -0.389614
C 4.492257 0.808781 1.238152
C -4.439993 2.369784 1.471098
H 1.314664 1.967619 -1.252492
H 0.841389 1.984695 0.458132
H -1.327337 1.460751 0.288456
H -1.694990 -1.662137 -1.786863
H 2.143239 -0.904806 -1.259529
H -5.754580 0.411991 0.341594
H -3.966079 -2.702009 -2.103704
H -5.987467 -1.660547 -1.036415
H 5.777133 -0.792488 0.774903
H -4.919447 1.694605 2.204532
H -5.188282 2.721977 0.736383
H -3.994112 3.229296 1.992149


