%chk=000057972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057972

0 1
 I   -1.149500      0.6386000       2.396600    
 I   -2.112300      -4.074500      -1.325600    
 I   -5.742700      0.6459000      -1.660100    
 O    3.241100      -1.206000      0.5879000    
 O  -0.8217000      -2.196100      0.9625000    
 O    3.155600       2.185000      9.1000004E-03
 O    3.718000       1.205800      -1.957800    
 O   -2.509800       3.093300     -0.6692000    
 N   -3.738200       1.639500      0.7197000    
 C    4.872400      0.5179000      8.0799997E-02
 C    4.541000     -0.9786000      5.2099999E-02
 C    6.309600      0.8079000     -0.3803000    
 C    2.885500      -2.579200      0.5215000    
 C    1.494400      -2.780700       1.101700    
 C    6.734500       2.266800     -0.2664000    
 C    3.875400       1.316900     -0.7490000    
 C   0.4447000      -1.970700      0.3588000    
 C   -1.896000      -1.552800      0.4050000    
 C   -2.266300     -0.2837000      0.8498000    
 C   -3.360600      0.3643000      0.2770000    
 C   -2.619900      -2.173800     -0.6129000    
 C   -4.084500     -0.2568000     -0.7409000    
 C   -3.714100      -1.525700      -1.185900    
 C   -3.305500       2.878200      0.2395000    
 C   -3.951200       4.018300      0.9864000    
 H    4.770600      0.8577000       1.120900    
 H    5.275700      -1.533100      0.6479000    
 H    4.577300      -1.348800     -0.9800000    
 H    7.003400      0.2019000      0.2154000    
 H    6.433500      0.4914000      -1.423600    
 H    2.906400      -2.917400     -0.5213000    
 H    3.606500      -3.173100       1.094900    
 H    1.486300      -2.477700       2.156200    
 H    1.228200      -3.843900       1.082900    
 H    7.783900       2.377600     -0.5575000    
 H    6.627700       2.624100      0.7627000    
 H    6.136400       2.909800     -0.9190000    
 H   0.6939000     -0.9048000      0.3880000    
 H   0.4263000      -2.271200     -0.6948000    
 H    2.513700       2.694900     -0.5296000    
 H   -4.277700      -2.010900      -1.980300    
 H   -4.307800       1.640100       1.563200    
 H   -3.582800       4.036500       2.015900    
 H   -5.038300       3.898200      0.9889000    
 H   -3.703300       4.966200      0.5008000    


%chk=000057972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057972

0 1
I -0.939940 -0.043857 2.522535
I -2.146848 -4.124810 -1.864910
I -4.692859 1.424639 -2.191690
O 3.279798 -1.463893 1.211170
O -0.755913 -2.683243 0.690780
O 2.006809 1.948659 0.517090
O 2.044557 0.311909 -1.129779
O -0.580292 2.455652 0.120778
N -2.790717 1.812481 0.459523
C 4.033166 0.649617 0.291171
C 4.266024 -0.869762 0.300323
C 5.069470 1.350448 -0.639084
C 3.046988 -2.904825 1.024629
C 1.564311 -3.176690 1.329304
C 5.025266 2.891291 -0.568941
C 2.605833 0.930167 -0.186724
C 0.683921 -2.497568 0.282944
C -1.625015 -1.779203 0.082740
C -1.827733 -0.478444 0.627212
C -2.660610 0.473360 -0.023625
C -2.376180 -2.154931 -1.061255
C -3.388372 0.051792 -1.170406
C -3.274925 -1.258057 -1.674994
C -1.752368 2.739610 0.498006
C -2.120111 4.103182 1.060642
H 4.133608 1.046121 1.317105
H 5.299919 -1.095616 0.639970
H 4.122664 -1.270897 -0.725910
H 6.080961 0.998338 -0.352048
H 4.895998 1.013941 -1.680463
H 3.290484 -3.198917 -0.020435
H 3.699175 -3.483710 1.710668
H 1.319812 -2.773649 2.328406
H 1.377631 -4.267263 1.346534
H 5.779679 3.334803 -1.244251
H 5.231617 3.247289 0.457213
H 4.033476 3.279727 -0.859015
H 0.907850 -1.419684 0.220124
H 0.805930 -2.952757 -0.719355
H 1.040180 2.116702 0.252673
H -3.850805 -1.566729 -2.549183
H -3.734266 2.152122 0.663472
H -1.780123 4.158145 2.111210
H -3.203539 4.310456 1.033051
H -1.584710 4.881354 0.494693


