%chk=000026576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026576

0 1
 O    1.653100       1.903400      0.4310000    
 O    5.576400      -1.809900     -0.6642000    
 O   -3.623600      -1.758300      0.7752000    
 N   -3.628500      0.3432000     -0.2228000    
 N   -5.597200     -0.9479000     -0.1232000    
 C   -2.279100      0.7425000     -5.5500001E-02
 C   0.3574000       1.520100      0.2694000    
 C   -1.872600       1.972100     -0.5432000    
 C   -1.398800     -0.1078000      0.5909000    
 C  -0.5440000       2.364100     -0.3797000    
 C  -7.0100002E-02  0.2842000      0.7547000    
 C    2.639400      0.9714000      0.1550000    
 C   -4.223000     -0.8495000      0.1967000    
 C    2.543200      0.2088000     -0.9947000    
 C    3.694400      0.8259000       1.037700    
 C    4.608000     -0.8927000     -0.3937000    
 C    3.535900     -0.7313000      -1.271400    
 C    4.687100     -0.1141000      0.7611000    
 C   -6.387800      -2.126100      0.2099000    
 C   -6.314300      0.1252000     -0.8086000    
 C    6.644200      -1.923200      0.2754000    
 H   -2.566300       2.636900      -1.050400    
 H   -1.641700      -1.074400       1.003500    
 H  -0.2168000       3.327900     -0.7599000    
 H   0.6051000     -0.3821000       1.285600    
 H   -4.199300       1.027400     -0.7069000    
 H    1.731500      0.3318000      -1.705700    
 H    3.755800       1.431400       1.937000    
 H    3.471600      -1.331500      -2.174900    
 H    5.491100     -0.1878000       1.485300    
 H   -6.792100      -2.551800     -0.7129000    
 H   -7.206400      -1.826300      0.8705000    
 H   -5.780200      -2.880900      0.7149000    
 H   -7.369100     -0.1381000     -0.9323000    
 H   -5.871100      0.2827000      -1.796400    
 H   -6.248300       1.043400     -0.2175000    
 H    7.321900      -2.698100     -9.7400002E-02
 H    6.284600      -2.257200       1.254700    
 H    7.223500     -0.9959000      0.3401000    


%chk=000026576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026576

0 1
O 1.636342 1.627621 0.332932
O 6.072189 -1.753076 -0.515205
O -4.011565 -1.895887 0.512247
N -3.860451 0.344348 -0.208576
N -5.945942 -0.760874 -0.167495
C -2.463802 0.578094 -0.061242
C 0.291089 1.205697 0.165959
C -1.979987 1.867982 -0.415513
C -1.545894 -0.395145 0.418103
C -0.612502 2.181671 -0.306436
C -0.177007 -0.076124 0.533485
C 2.708161 0.715254 0.144474
C -4.565868 -0.838114 0.074093
C 2.697208 -0.295559 -0.848849
C 3.855495 0.927084 0.933602
C 4.994589 -0.891789 -0.240224
C 3.837976 -1.096843 -1.034387
C 5.005616 0.127489 0.744057
C -6.765930 -1.954246 0.094278
C -6.615858 0.448552 -0.665320
C 7.289178 -1.580047 0.278457
H -2.676757 2.632811 -0.783286
H -1.918036 -1.381614 0.699058
H -0.234307 3.171641 -0.577414
H 0.519659 -0.827314 0.918896
H -4.389369 1.141641 -0.563022
H 1.812093 -0.448580 -1.473671
H 3.840358 1.720511 1.686768
H 3.856006 -1.883567 -1.794540
H 5.887474 0.307098 1.365709
H -7.271868 -2.299094 -0.828184
H -7.531829 -1.748631 0.866937
H -6.098618 -2.751115 0.455838
H -7.694865 0.246531 -0.754016
H -6.257153 0.746354 -1.672783
H -6.502628 1.308302 0.027320
H 7.988170 -2.342782 -0.095371
H 7.096254 -1.748537 1.356372
H 7.726277 -0.572242 0.134251


