%chk=000021334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021334

0 1
 O    3.110700      -1.762000      -1.147000    
 O   -3.091300       1.763900      -1.141700    
 N    9.962100       1.023400       1.006000    
 N   -9.964200      -1.028100       1.002600    
 N    9.936800     -0.9914000     -2.9400000E-02
 N   -9.939000      0.9889000     -2.8200001E-02
 N    3.624300      0.2535000     -6.1000001E-02
 N   -3.626000     -0.2533000     -5.8800001E-02
 C    11.35840      0.7054000      0.9992000    
 C   -11.36060     -0.7108000      0.9956000    
 C    9.238300      2.5300000E-02  0.4176000    
 C   -9.240500     -2.8400000E-02  0.4170000    
 C    11.35350     -0.6516000      0.2900000    
 C   -11.35580      0.6478000      0.2897000    
 C    7.790600      8.3300002E-02  0.2946000    
 C   -7.792600     -8.5699998E-02  0.2947000    
 C    7.093100       1.187100      0.7854000    
 C   -7.094800      -1.190200      0.7834000    
 C    7.099500     -0.9639000     -0.3149000    
 C   -7.101600      0.9632000     -0.3120000    
 C    5.034500      0.1956000      5.9099998E-02
 C   -5.015100     -0.1972000      5.8699999E-02
 C    5.704300       1.243600      0.6668000    
 C   -5.706200      -1.245900      0.6654000    
 C    5.710800     -0.9072000     -0.4336000    
 C   -5.712800      0.9074000     -0.4300000    
 C    1.347100     -0.3343000     -0.6348000    
 C   -1.327600      0.3352000     -0.6327000    
 C    2.757700     -0.6875000     -0.6346000    
 C   -2.769600      0.6960000     -0.6320000    
 C   0.9638000       1.006900     -0.6327000    
 C  -0.3894000       1.345700     -0.6316000    
 C   0.3773000      -1.336700     -0.6359000    
 C  -0.9759000     -0.9981000     -0.6349000    
 H    11.75460      0.6262000       2.015700    
 H    11.93610       1.449000      0.4424000    
 H   -11.93760      -1.453200      0.4368000    
 H   -11.75750     -0.6341000       2.012100    
 H    11.78120      -1.430500      0.9300000    
 H    11.93660     -0.6122000     -0.6363000    
 H   -11.78420       1.425100      0.9312000    
 H   -11.93830      0.6105000     -0.6370000    
 H    9.609900       1.881000       1.411100    
 H   -9.611900      -1.886500       1.406000    
 H    7.587700       2.024600       1.266300    
 H   -7.589500      -2.028900       1.262100    
 H    7.617000      -1.835700     -0.7064000    
 H   -7.619200       1.835800     -0.7018000    
 H    5.170300       2.107800       1.052100    
 H   -5.175200      -2.112900       1.050500    
 H    5.249400      -1.755200     -0.9168000    
 H   -5.250500       1.757500     -0.9114000    
 H    3.218100       1.080900      0.3672000    
 H   -3.213100      -1.077400      0.3687000    
 H    1.680500       1.821900     -0.6695000    
 H  -0.6713000       2.394300     -0.6323000    
 H   0.6548000      -2.387700     -0.6412000    
 H   -1.694600      -1.809500     -0.6768000    


%chk=000021334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021334

0 1
O 3.171356 -1.924094 -0.864294
O -3.170519 1.920999 -0.857813
N 10.231820 1.113048 0.868856
N -10.235230 -1.110527 0.864658
N 10.185539 -1.014179 0.001712
N -10.185588 1.019563 0.004771
N 3.742441 0.197295 -0.029246
N -3.744348 -0.202016 -0.029832
C 11.670893 0.775987 0.854843
C -11.673769 -0.771146 0.851790
C 9.477963 0.042714 0.372663
C -9.479678 -0.039682 0.372155
C 11.626819 -0.682704 0.253685
C -11.627396 0.689460 0.255472
C 8.001842 0.099386 0.275377
C -8.003619 -0.098312 0.274738
C 7.249947 1.228973 0.692197
C -7.253622 -1.230993 0.686555
C 7.302964 -1.018240 -0.252710
C -7.302919 1.020522 -0.248334
C 5.159418 0.112535 0.051811
C -5.161205 -0.115031 0.051314
C 5.847848 1.236761 0.581965
C -5.851533 -1.240554 0.576352
C 5.902552 -1.026591 -0.367965
C -5.902468 1.027155 -0.363422
C 1.388554 -0.325822 -0.482137
C -1.389228 0.319982 -0.480898
C 2.834665 -0.759613 -0.486831
C -2.834954 0.754838 -0.483703
C 0.961007 1.029168 -0.505306
C -0.410049 1.345051 -0.507983
C 0.409473 -1.351119 -0.500998
C -0.961552 -1.035142 -0.496952
H 12.103905 0.796331 1.873418
H 12.246675 1.474596 0.218010
H -12.250661 -1.466720 0.212646
H -12.106801 -0.794184 1.870300
H 12.055870 -1.427231 0.948757
H 12.188400 -0.753349 -0.695706
H -12.055420 1.432346 0.952929
H -12.188753 0.764071 -0.693746
H 9.863691 2.000405 1.197518
H -9.868484 -1.999445 1.190638
H 7.742463 2.115223 1.107952
H -7.747640 -2.118327 1.098183
H 7.893447 -1.883467 -0.569148
H -7.892009 1.888069 -0.560993
H 5.283358 2.119912 0.908579
H -5.288569 -2.126150 0.898971
H 5.373702 -1.892114 -0.769210
H -5.372094 1.893516 -0.760808
H 3.340806 1.064421 0.333913
H -3.344938 -1.071605 0.329781
H 1.684860 1.851169 -0.566457
H -0.755548 2.382838 -0.548088
H 0.754402 -2.389278 -0.536062
H -1.684987 -1.857998 -0.551167


