%chk=000043035.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043035

0 1
 O    1.896200      0.9038000      0.1938000    
 O   -2.811700      0.4104000       2.823300    
 O   -4.294500       1.688300      -1.369300    
 O    2.921500       2.733900     -0.7308000    
 N   -3.888200      0.9715000      0.8215000    
 N   -5.179000      -2.844000     -0.9333000    
 N    6.299100      0.2386000     -0.7016000    
 C  -0.4766000      0.7379000      0.7812000    
 C   -1.195200       1.336100      -1.247300    
 C   -1.672300       1.656500       1.094400    
 C   -2.161500       2.075700     -0.3008000    
 C  -0.9239000      2.6699999E-02 -0.5030000    
 C   0.6722000       1.621000      0.2513000    
 C   0.1865000       2.016900      -1.157600    
 C   -2.840500      0.9367000       1.719400    
 C   -3.581900       1.576800     -0.3811000    
 C   -5.196900      0.4204000       1.115600    
 C   -5.291100      -1.069600      0.7924000    
 C    2.975000       1.576700     -0.3274000    
 C   -5.064300      -1.412400     -0.6828000    
 C    4.203200      0.7780000     -0.3562000    
 C    4.363500     -0.5473000      8.1100002E-02
 C    5.385800       1.250200     -0.8315000    
 C    5.702600     -0.8713000     -0.1470000    
 C   -4.179800      -3.584300     -0.1607000    
 C   -5.031100      -3.131400      -2.361200    
 C    3.517800      -1.520200      0.6504000    
 C    6.240600      -2.124500      0.1670000    
 C    4.042100      -2.778000      0.9696000    
 C    5.382700      -3.073400      0.7307000    
 H  -0.1903000      5.4600000E-02   1.584000    
 H   -1.565400       1.216000      -2.267800    
 H   -1.404100       2.515000       1.718700    
 H   -2.150900       3.161700     -0.4390000    
 H  -0.1303000     -0.5723000     -0.9630000    
 H   -1.807500     -0.6028000     -0.3710000    
 H   0.8141000       2.498300      0.8945000    
 H   0.8377000       1.630900      -1.949900    
 H   0.1071000       3.103100      -1.271500    
 H   -5.951600      0.9712000      0.5431000    
 H   -5.403200      0.5694000       2.181600    
 H   -6.280100      -1.430600       1.101600    
 H   -4.554100      -1.574600       1.426400    
 H   -5.817800     -0.8769000      -1.274300    
 H   -4.082800      -1.054700      -1.012300    
 H    5.679100       2.202700      -1.250900    
 H    7.270900      0.2972000     -0.9732000    
 H   -4.173200      -4.639900     -0.4587000    
 H   -4.416600      -3.595000      0.9074000    
 H   -3.165600      -3.193100     -0.3025000    
 H   -4.045600      -2.839400      -2.742000    
 H   -5.796000      -2.603300      -2.941700    
 H   -5.174400      -4.200000      -2.556400    
 H    2.468500      -1.331700      0.8520000    
 H    7.284100      -2.355400     -1.8500000E-02
 H    3.394700      -3.532600       1.408700    
 H    5.769000      -4.056900      0.9863000    


%chk=000043035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043035

0 1
O 1.909026 1.009998 0.114024
O -2.920847 0.672874 2.770529
O -4.410898 1.774760 -1.535056
O 3.148348 2.987825 -0.061947
N -3.927506 1.086722 0.674892
N -5.150953 -3.064271 -0.659605
N 6.477823 0.262867 -0.096706
C -0.464474 0.923622 0.679418
C -1.175765 1.495583 -1.420416
C -1.685912 1.866612 0.948872
C -2.187126 2.241277 -0.486767
C -0.901496 0.186919 -0.620874
C 0.670719 1.837795 0.155385
C 0.192446 2.230484 -1.285130
C -2.864751 1.144986 1.608576
C -3.617881 1.702770 -0.564678
C -5.233555 0.466827 0.979660
C -5.216124 -1.075273 0.883436
C 3.117970 1.729521 0.007962
C -4.993463 -1.594637 -0.552050
C 4.279603 0.840329 -0.006055
C 4.367112 -0.613600 0.077895
C 5.591211 1.327584 -0.110549
C 5.764821 -0.946674 0.017521
C -4.090395 -3.815133 0.042895
C -5.279909 -3.499090 -2.066827
C 3.419805 -1.663351 0.198809
C 6.239051 -2.274181 0.071434
C 3.884631 -2.992175 0.253515
C 5.275941 -3.296634 0.190238
H -0.176973 0.311967 1.546924
H -1.535299 1.383624 -2.454402
H -1.402997 2.730576 1.575050
H -2.202160 3.324409 -0.697230
H -0.085227 -0.413206 -1.056321
H -1.789585 -0.456397 -0.493490
H 0.870030 2.713891 0.795932
H 0.913898 1.848695 -2.028406
H 0.117615 3.322858 -1.418621
H -5.960307 0.897641 0.267453
H -5.506674 0.768660 2.006374
H -6.194324 -1.451887 1.238345
H -4.448731 -1.461319 1.578651
H -5.740822 -1.124239 -1.218894
H -3.986349 -1.265008 -0.925434
H 5.917666 2.362341 -0.190550
H 7.491196 0.341953 -0.157821
H -4.273626 -4.898787 -0.066375
H -4.097775 -3.581537 1.120605
H -3.064064 -3.595505 -0.353577
H -4.363400 -3.300943 -2.680164
H -6.127762 -2.975153 -2.542545
H -5.484532 -4.584242 -2.102606
H 2.353682 -1.430174 0.251376
H 7.308323 -2.508007 0.024451
H 3.164631 -3.812525 0.348396
H 5.602114 -4.341423 0.236178


