%chk=000128726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128726

0 1
 O  -0.7347000      0.3003000      -1.389100    
 O   -7.935500      0.1598000      0.8989000    
 O   -7.434300       1.596400     -0.6834000    
 O    6.005000      -1.298800      0.3127000    
 O    8.183600      -1.114400      6.0500000E-02
 N   0.6238000      -2.504700      -1.095500    
 N   -1.762200      -1.061100      0.2230000    
 N    4.480400      0.6775000      0.3224000    
 N    6.852900      0.7063000      6.1200000E-02
 N   -7.107100      0.6887000      0.1187000    
 N    5.734700       2.683500      2.9100001E-02
 N    7.042900     -0.6494000      0.1476000    
 C    1.843900     -0.4674000     -0.4621000    
 C   0.5976000      -1.331900     -0.2191000    
 C    2.059000      0.5573000      0.6605000    
 C    3.251800       1.470100      0.3946000    
 C  -0.7024000     -0.5973000     -0.5514000    
 C   -3.107600     -0.6222000      0.1953000    
 C   -4.046000      -1.195300       1.053700    
 C   -3.494600      0.3854000     -0.6882000    
 C   -5.371200     -0.7609000       1.028500    
 C   -4.819800      0.8198000     -0.7136000    
 C   -5.758100      0.2466000      0.1448000    
 C    5.597800       1.311800      0.1510000    
 H    1.782800      4.7600001E-02  -1.429100    
 H    2.727800      -1.117100     -0.5092000    
 H   0.5872000      -1.670900      0.8234000    
 H    2.207100      2.8300000E-02   1.610200    
 H    1.161800       1.177200      0.7725000    
 H    3.089700       2.013500     -0.5441000    
 H    3.314800       2.197100       1.213200    
 H    1.471300      -3.043700     -0.9208000    
 H  -0.1545000      -3.121400     -0.8639000    
 H   -1.568700      -1.807100      0.8875000    
 H   -3.757000      -1.980800       1.747300    
 H   -2.828400      0.8750000      -1.384200    
 H   -6.074700      -1.230100       1.711600    
 H   -5.086700       1.606200      -1.415200    
 H    7.643500       1.331800     -7.4199997E-02
 H    6.645000       3.111000     -0.1030000    
 H    4.940600       3.312500      6.3000001E-02


%chk=000128726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128726

0 1
O -1.074162 -0.591145 -2.148317
O -7.379368 0.959279 1.981366
O -7.414182 1.675975 -0.186123
O 8.117072 1.749754 0.756063
O 8.421027 -0.451641 1.346428
N 0.814378 -2.876590 -1.798069
N -1.621641 -1.088037 0.085450
N 4.092997 0.529923 0.445702
N 6.325151 0.274932 0.845700
N -6.840272 1.087315 0.811841
N 5.559145 2.458767 0.190803
N 7.690187 0.545228 0.988001
C 1.740315 -0.774565 -0.894347
C 0.593607 -1.809633 -0.805587
C 1.648138 0.365179 0.141159
C 2.879342 1.291211 0.086602
C -0.768984 -1.098556 -1.029445
C -2.917354 -0.532016 0.214070
C -3.558213 -0.644207 1.482427
C -3.586699 0.120844 -0.861039
C -4.841560 -0.117330 1.684204
C -4.872816 0.649656 -0.658604
C -5.489663 0.528480 0.606418
C 5.246992 1.144968 0.466791
H 1.739831 -0.345663 -1.917687
H 2.692106 -1.316726 -0.757151
H 0.615572 -2.273279 0.202921
H 1.582218 -0.056529 1.164084
H 0.739279 0.975336 -0.031265
H 2.962315 1.721279 -0.939729
H 2.723885 2.145770 0.785292
H 0.845723 -2.509053 -2.756992
H 0.160840 -3.664611 -1.722603
H -1.246585 -1.531770 0.928439
H -3.045008 -1.147276 2.311152
H -3.089331 0.200710 -1.828642
H -5.349638 -0.193451 2.648729
H -5.407651 1.155583 -1.466724
H 6.065024 -0.696683 1.042423
H 6.531279 2.772705 0.259451
H 4.818203 3.095066 -0.088093


