%chk=000125949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125949

0 1
 O    4.698900      -2.517300     -5.7300001E-02
 O    6.150000       1.538800      0.3172000    
 N    3.048700     -0.2623000     -0.5858000    
 C    4.491700     -9.7800002E-02 -0.4138000    
 C   -1.358800      0.3096000      0.1760000    
 C  -1.1000000E-02  0.6237000      0.3359000    
 C   -1.877900     -0.9774000      0.1738000    
 C   0.8586000     -0.4714000      0.5051000    
 C   -2.373700       1.239400     -3.5000001E-03
 C    2.327800     -0.2687000      0.6871000    
 C   -3.318100     -0.8761000     -1.8700000E-02
 C   -3.627900      0.5102000     -0.1294000    
 C   -1.021100      -2.049200      0.3405000    
 C    5.008300      -1.238900      0.4854000    
 C    4.754300       1.295200      0.1902000    
 C   0.3510000      -1.788900      0.5062000    
 C    5.142500     -0.1707000      -1.803600    
 C   0.3069000       1.995600      0.3076000    
 C   -2.057000       2.584600     -3.0800000E-02
 C  -0.7102000       2.957600      0.1258000    
 C   -4.306700      -1.838200     -9.7999997E-02
 C   -4.927400      0.9396000     -0.3198000    
 C   -5.621400      -1.404000     -0.2904000    
 C   -5.927600     -3.3500001E-02 -0.3999000    
 H    2.478000      0.6424000       1.271500    
 H    2.658200      -1.083100       1.339600    
 H    2.685700      0.4854000      -1.177600    
 H    4.666700      -1.188300       1.523700    
 H    6.102300      -1.193900      0.5393000    
 H    4.339700       2.088300     -0.4427000    
 H    4.338500       1.420000       1.193200    
 H   -1.385400      -3.071200      0.3445000    
 H    1.025900      -2.633200      0.6341000    
 H    4.896000      -1.108000      -2.316300    
 H    6.234900     -0.1155000      -1.736700    
 H    4.807400      0.6510000      -2.447900    
 H    1.330200       2.343700      0.4154000    
 H   -2.819300       3.344000     -0.1693000    
 H  -0.4448000       4.012000      0.1049000    
 H   -4.082800      -2.895800     -1.5000000E-02
 H   -5.174800       1.991800     -0.4054000    
 H   -6.423100      -2.135200     -0.3570000    
 H   -6.960700      0.2707000     -0.5493000    
 H    3.733800      -2.565500     -0.1620000    
 H    6.491800      0.9526000       1.013000    


%chk=000125949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125949

0 1
O 4.034665 -2.484307 -0.408878
O 6.682114 0.925056 0.562507
N 3.077021 -0.040648 -0.366956
C 4.572642 -0.072880 -0.382674
C -1.414652 0.372225 0.207299
C -0.068936 0.771056 0.410885
C -1.883742 -0.977551 0.303258
C 0.876153 -0.276242 0.733735
C -2.484859 1.268465 -0.120071
C 2.352124 0.031826 0.935282
C -3.339307 -0.936904 0.022713
C -3.706796 0.435374 -0.236675
C -0.956262 -1.977069 0.614722
C 4.972246 -1.506074 0.124239
C 5.212820 1.022817 0.514841
C 0.413590 -1.603715 0.822934
C 5.028127 0.109776 -1.846595
C 0.198575 2.179094 0.265831
C -2.196120 2.630083 -0.254787
C -0.841306 3.066510 -0.057206
C -4.311146 -1.953464 -0.020450
C -5.039809 0.770481 -0.536422
C -5.652767 -1.606598 -0.322856
C -6.013050 -0.260521 -0.578066
H 2.468361 1.014903 1.440955
H 2.796813 -0.726450 1.604469
H 2.674072 0.574153 -1.083777
H 4.971301 -1.533727 1.240051
H 5.983998 -1.769023 -0.232982
H 5.019301 2.022714 0.088591
H 4.791925 0.983879 1.541144
H -1.245064 -3.029917 0.703188
H 1.139725 -2.391373 1.059635
H 4.736681 -0.764834 -2.454439
H 6.124922 0.222313 -1.882172
H 4.580268 1.018739 -2.293621
H 1.211552 2.571378 0.412224
H -2.968954 3.365511 -0.503790
H -0.616010 4.134097 -0.160975
H -4.044491 -2.998007 0.174635
H -5.329950 1.808032 -0.735535
H -6.420182 -2.387626 -0.360157
H -7.055218 -0.014665 -0.809953
H 3.228594 -1.912438 -0.639272
H 6.939132 0.137652 1.104971


