%chk=000048798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048798

0 1
 O   0.6878000       2.161700     -0.4612000    
 O    1.470700      -2.456200     -0.1259000    
 O    3.680800      0.5036000       2.596500    
 N    2.254900       1.338400      0.9978000    
 N    2.646500     -0.9683000       1.164900    
 C    1.427300     -0.1243000     -0.7896000    
 C   6.4700000E-02 -0.4026000      -1.441000    
 C   -1.023500     -0.6272000     -0.3898000    
 C   -2.372200     -0.9358000      -1.046000    
 C   -3.507400      -1.188700     -3.4200002E-02
 C    2.503200     -2.1299999E-02  -1.885400    
 C   -3.912400      4.4500001E-02  0.8001000    
 C    1.385400       1.223600     -7.6499999E-02
 C    1.813000      -1.297100      0.1063000    
 C   -3.141000      -2.373200      0.8667000    
 C   -4.350400       1.266300     -1.2200000E-02
 C    2.223400       1.141500      -2.810700    
 C    2.927100      0.3065000       1.641900    
 C   -4.777800       2.408600      0.8982000    
 H  -0.2655000      0.4262000      -2.076500    
 H   0.1258000      -1.288400      -2.087200    
 H  -0.7482000      -1.452100      0.2701000    
 H   -1.123700      0.2645000      0.2376000    
 H   -2.650200     -0.1259000      -1.729500    
 H   -2.261100      -1.829800      -1.674300    
 H   -4.388100      -1.487200     -0.6192000    
 H    2.546800     -0.9506000      -2.467900    
 H    3.499600      0.1100000      -1.443900    
 H   -4.738800     -0.2472000       1.462100    
 H   -3.085100      0.3304000       1.461500    
 H   -4.022500      -2.701600       1.428900    
 H   -2.789200      -3.228000      0.2797000    
 H   -2.373200      -2.111800       1.601500    
 H   -3.528900       1.619300     -0.6440000    
 H   -5.181900      0.9955000     -0.6725000    
 H    1.261900       1.075600      -3.324000    
 H    2.307700       2.114500      -2.320000    
 H    2.983500       1.145200      -3.601800    
 H    2.350700       2.263400       1.407400    
 H    3.030700      -1.743600       1.698000    
 H   -3.954700       2.720500       1.549200    
 H   -5.622500       2.113200       1.528600    
 H   -5.085500       3.273100      0.3017000    


%chk=000048798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048798

0 1
O 0.778181 2.292045 -0.632597
O 1.856575 -2.418390 -0.225507
O 3.305790 0.685274 2.913872
N 2.107254 1.462936 1.061810
N 2.582321 -0.838065 1.293339
C 1.464963 -0.065941 -0.828195
C 0.077337 -0.434159 -1.430327
C -1.034498 -0.644737 -0.377465
C -2.389582 -0.964288 -1.050858
C -3.580181 -1.215923 -0.079600
C 2.575839 0.022176 -1.965045
C -3.885848 -0.011755 0.853505
C 1.390069 1.306989 -0.143593
C 1.948573 -1.204300 0.089442
C -3.383981 -2.509626 0.748913
C -4.193009 1.317439 0.125718
C 2.279525 1.007153 -3.112307
C 2.714421 0.454756 1.830465
C -4.643386 2.432883 1.094346
H -0.221598 0.380558 -2.113098
H 0.203650 -1.356954 -2.026820
H -0.751468 -1.471560 0.302251
H -1.136406 0.271761 0.237301
H -2.648583 -0.131632 -1.735836
H -2.265669 -1.863837 -1.689371
H -4.476666 -1.365845 -0.721013
H 2.680836 -1.004368 -2.364403
H 3.543462 0.284922 -1.491716
H -4.757921 -0.278792 1.486720
H -3.039349 0.142115 1.555182
H -4.287599 -2.735713 1.345598
H -3.182326 -3.378772 0.094822
H -2.537493 -2.415552 1.454925
H -3.297563 1.659825 -0.429807
H -4.984073 1.143499 -0.632808
H 1.404051 0.694157 -3.706404
H 2.090318 2.029449 -2.743900
H 3.149391 1.041098 -3.793664
H 2.132222 2.404632 1.467248
H 2.976130 -1.596083 1.860822
H -3.863443 2.637054 1.852390
H -5.565399 2.142875 1.633182
H -4.847167 3.377897 0.557880


