%chk=000105413.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105413

0 1
 O   -2.081000      0.2663000     -0.9753000    
 O   -5.133000      -1.207400      0.3330000    
 O    2.784600      -2.339300      -1.410200    
 N   0.3416000       1.681200     -0.7203000    
 N    3.713000      -1.538100      0.6034000    
 C   4.1299999E-02  0.9005000      -1.904100    
 C  -0.3858000       2.912400     -0.4834000    
 C    1.338100       1.255400      0.1822000    
 C  -0.8855000     -0.2492000      -1.547200    
 C    2.033000      6.9300003E-02 -5.4000001E-02
 C   0.3429000       4.080200      -1.120100    
 C    1.628800       2.021000       1.311400    
 C    3.018400     -0.3513000      0.8391000    
 C   -2.981700     -0.7750000     -0.6242000    
 C    2.614400       1.600500       2.204400    
 C    3.309100      0.4143000       1.968200    
 C   -4.222600     -0.1664000      9.9999997E-05
 C   -6.309100     -0.6951000      0.9436000    
 C    3.561800      -2.431400     -0.4656000    
 C   -7.235100      -1.846300       1.273400    
 C    4.506600      -3.601700     -0.3543000    
 H  -0.4816000       1.541100      -2.627100    
 H   0.9380000      0.5642000      -2.436300    
 H  -0.6202000       3.095400      0.5700000    
 H   -1.373200       2.847700     -0.9594000    
 H  -0.4217000     -0.9460000     -0.8417000    
 H   -1.133000     -0.8044000      -2.459700    
 H    1.806500     -0.5110000     -0.9296000    
 H  -0.2304000       5.002800     -0.9842000    
 H   0.4805000       3.924900      -2.195500    
 H    1.332600       4.231000     -0.6775000    
 H    1.140900       2.960100       1.545400    
 H   -2.508700      -1.463500      8.6599998E-02
 H   -3.256400      -1.353100      -1.514800    
 H    2.844400       2.198100       3.081800    
 H    4.075100      9.9200003E-02   2.672200    
 H   -3.947700      0.3994000      0.8986000    
 H   -4.690400      0.5329000     -0.7035000    
 H    4.415100      -1.776200       1.301000    
 H   -6.046300     -0.1587000       1.862300    
 H   -6.810800     -2.6000000E-03  0.2586000    
 H   -8.153300      -1.486500       1.746200    
 H   -6.744300      -2.554900       1.948600    
 H   -7.498600      -2.401100      0.3668000    
 H    4.324400      -4.137800      0.5814000    
 H    5.540300      -3.245500     -0.3765000    
 H    4.348500      -4.286700      -1.191800    


%chk=000105413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105413

0 1
O -2.254709 0.189490 -1.009537
O -5.417417 -1.142365 0.295404
O 2.856596 -2.522953 -1.279640
N 0.390848 1.625157 -0.568474
N 4.057003 -1.520873 0.478197
C -0.027921 0.818322 -1.724667
C -0.436102 2.803976 -0.236785
C 1.509751 1.271223 0.197611
C -0.943845 -0.366965 -1.374997
C 2.208515 0.049642 -0.060991
C 0.085844 4.120011 -0.861586
C 1.985998 2.111717 1.255666
C 3.339177 -0.305655 0.706163
C -3.185383 -0.836332 -0.527440
C 3.112029 1.732567 2.011031
C 3.805209 0.532818 1.754160
C -4.490796 -0.117024 -0.191485
C -6.725109 -0.583585 0.666453
C 3.815060 -2.533310 -0.448965
C -7.598050 -1.737686 1.157308
C 4.825027 -3.682435 -0.379676
H -0.580157 1.471622 -2.425664
H 0.857237 0.441394 -2.269404
H -0.505414 2.903160 0.862902
H -1.460554 2.595222 -0.590013
H -0.525181 -0.953861 -0.531440
H -1.050554 -1.040115 -2.254965
H 1.888591 -0.646099 -0.835354
H -0.565100 4.969008 -0.579162
H 0.097600 4.051113 -1.964750
H 1.114134 4.343333 -0.526787
H 1.495407 3.061833 1.481142
H -2.781522 -1.339499 0.376168
H -3.362934 -1.606335 -1.308285
H 3.460444 2.393519 2.813028
H 4.682519 0.252826 2.350081
H -4.309898 0.656166 0.586751
H -4.895626 0.385204 -1.096858
H 4.862439 -1.661238 1.092953
H -6.593240 0.183275 1.462879
H -7.183863 -0.083218 -0.216106
H -8.597602 -1.368836 1.451539
H -7.133249 -2.228395 2.029822
H -7.721983 -2.493183 0.362286
H 4.838947 -4.148992 0.622992
H 5.848293 -3.331439 -0.609900
H 4.539036 -4.443504 -1.119604


