%chk=000047484.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047484

0 1
 O   -6.265800     -8.4899999E-02 -8.8399999E-02
 O   -5.459000     -9.4899997E-02   1.953300    
 N  -7.2099999E-02 -0.1604000      -1.359600    
 N    3.540700      0.2048000      0.7339000    
 N   -5.297000     -9.7099997E-02  0.7090000    
 C    1.153100     -3.6400001E-02 -0.6498000    
 C    1.636800       1.233200     -0.3180000    
 C    1.864300      -1.185300     -0.2890000    
 C    2.851700       1.308200      0.3840000    
 C    3.070300      -1.015600      0.4119000    
 C   0.9427000       2.404600     -0.6677000    
 C    1.401700      -2.473500     -0.6093000    
 C   -1.355000     -0.1430000     -0.8515000    
 C    3.338500       2.569400      0.7172000    
 C    3.783100      -2.155600      0.7739000    
 C    1.450800       3.653300     -0.3226000    
 C    2.133200      -3.597100     -0.2359000    
 C    2.651200       3.735600      0.3713000    
 C    3.326300      -3.437300      0.4571000    
 C   -2.476200     -0.1317000      -1.706700    
 C   -1.586500     -0.1393000      0.5395000    
 C   -3.773000     -0.1175000      -1.192900    
 C   -2.883300     -0.1253000       1.053200    
 C   -3.976500     -0.1143000      0.1870000    
 H   3.1199999E-02 -0.2427000      -2.364700    
 H   6.3000000E-03   2.380200      -1.218400    
 H   0.4740000      -2.633000      -1.153100    
 H    4.277200       2.660300       1.260900    
 H    4.721000      -2.056800       1.317600    
 H   0.9140000       4.556600     -0.5956000    
 H    1.774200      -4.590900     -0.4850000    
 H    3.056800       4.705100      0.6450000    
 H    3.905000      -4.307400      0.7530000    
 H   -2.336000     -0.1342000      -2.785600    
 H  -0.7605000     -0.1516000       1.246700    
 H   -4.600400     -0.1089000      -1.897800    
 H   -3.004300     -0.1236000       2.133500    


%chk=000047484-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047484

0 1
O -6.429948 0.311504 -0.317456
O -5.651081 1.037551 1.704736
N -0.150317 -0.514118 -1.206830
N 3.667598 0.170023 0.673615
N -5.466784 0.563118 0.512997
C 1.087917 -0.265504 -0.545391
C 1.489669 1.053973 -0.169079
C 1.980016 -1.362169 -0.329145
C 2.794663 1.207199 0.473996
C 3.283345 -1.079938 0.266068
C 0.709370 2.234724 -0.430190
C 1.650758 -2.725898 -0.650219
C -1.444839 -0.217794 -0.755987
C 3.215418 2.519096 0.892499
C 4.211627 -2.162836 0.457779
C 1.159946 3.488547 -0.026907
C 2.573303 -3.749070 -0.443721
C 2.416790 3.632444 0.656357
C 3.871254 -3.464246 0.103385
C -2.544788 -0.464392 -1.634257
C -1.701713 0.286958 0.554574
C -3.859749 -0.213064 -1.222787
C -3.017110 0.542027 0.966759
C -4.090374 0.295113 0.078129
H -0.096248 -1.103530 -2.041079
H -0.243523 2.143824 -0.958717
H 0.651823 -2.969320 -1.028913
H 4.188862 2.593686 1.386282
H 5.182534 -1.913324 0.896076
H 0.555556 4.377564 -0.236634
H 2.305588 -4.783341 -0.685528
H 2.747398 4.626792 0.975015
H 4.584218 -4.281827 0.254230
H -2.355352 -0.847901 -2.643995
H -0.872579 0.460184 1.245174
H -4.711475 -0.395084 -1.883150
H -3.233270 0.922029 1.968714


