%chk=000000092.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000092

0 1
 O    4.392800       1.735000      0.3562000    
 O   0.4147000      -1.823400      -2.325200    
 O   -2.889100       2.927900     -0.6873000    
 N    2.815800     -0.9872000      -1.011300    
 N   -3.205300      -2.335500      0.9740000    
 C    2.849500      0.1452000       1.323700    
 C    1.566800      -1.313200     -0.2714000    
 C    3.073100       1.199200      0.2079000    
 C    1.501300     -0.5596000       1.075900    
 C    3.948000     -0.9324000       1.211000    
 C    2.970700      0.4831000      -1.164200    
 C    3.964700      -1.489600     -0.2213000    
 C   0.3111000      -1.080400      -1.114800    
 C    2.116500       2.351600      0.3188000    
 C  -0.9419000      -1.486900     -0.3806000    
 C    2.491400       3.617900      0.5294000    
 C   -1.975000     -0.5827000     -0.1312000    
 C   -1.029300      -2.801200      3.7599999E-02
 C   -3.108600      -1.057400      0.5612000    
 C   -1.907700      0.7576000     -0.5479000    
 C   -2.176900      -3.173100      0.7080000    
 C   -4.144200     -0.1620000      0.8138000    
 C   -2.958000       1.631300     -0.2821000    
 C   -4.077500       1.170700      0.3998000    
 C   -4.003200       3.765300     -0.3799000    
 H    2.880300      0.5994000       2.320900    
 H    1.630800      -2.388900     -5.8300000E-02
 H    1.316200      -1.279600       1.883500    
 H   0.6848000      0.1664000       1.119000    
 H    3.741800      -1.742800       1.921400    
 H    4.931300     -0.5284000       1.475800    
 H    2.146600      0.8796000      -1.767400    
 H    3.865900      0.6741000      -1.771500    
 H    4.904700      -1.223400     -0.7210000    
 H    3.951100      -2.586400     -0.1959000    
 H   0.2905000     -4.4300001E-02  -1.433600    
 H    1.055000       2.156700      0.1945000    
 H    5.037700       1.099800      4.0000002E-03
 H    1.251500      -1.573900      -2.753600    
 H    1.737900       4.397600      0.5834000    
 H    3.521800       3.927500      0.6549000    
 H  -0.2575000      -3.537100     -0.1544000    
 H   -1.067800       1.184800      -1.081300    
 H   -2.310900      -4.191000       1.059200    
 H   -5.031700     -0.4994000       1.346300    
 H   -4.934100       1.789900      0.6434000    
 H   -4.138400       3.873500      0.7015000    
 H   -4.915000       3.420700     -0.8794000    
 H   -3.778200       4.761000     -0.7757000    


%chk=000000092-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000092

0 1
O 4.669390 1.707480 0.163291
O 0.810302 -2.116976 -2.219259
O -2.829411 2.872813 -0.073786
N 2.783750 -1.061992 -0.771183
N -3.447123 -2.700897 0.461126
C 2.744148 0.540979 1.268623
C 1.436073 -1.141177 -0.086634
C 3.249749 1.327809 0.005348
C 1.318883 -0.024204 0.995688
C 3.697179 -0.661080 1.539204
C 3.064497 0.338676 -1.215702
C 3.825659 -1.497465 0.214643
C 0.338650 -1.177662 -1.201268
C 2.492955 2.622016 -0.213069
C -1.001486 -1.652391 -0.656733
C 3.054298 3.851730 -0.283848
C -2.044330 -0.744202 -0.232577
C -1.235777 -3.026132 -0.538824
C -3.250842 -1.331316 0.331682
C -1.969294 0.677845 -0.344078
C -2.459944 -3.504739 0.020974
C -4.302886 -0.470788 0.773580
C -3.022377 1.492103 0.093685
C -4.203345 0.916605 0.666362
C -3.902116 3.775097 0.354153
H 2.729637 1.225100 2.134208
H 1.411725 -2.138853 0.392676
H 0.903034 -0.443584 1.929177
H 0.628289 0.777845 0.684238
H 3.264841 -1.280547 2.346368
H 4.681485 -0.318061 1.905825
H 2.241293 0.667793 -1.871867
H 3.986185 0.347763 -1.825784
H 4.815263 -1.370321 -0.264726
H 3.694004 -2.576537 0.406932
H 0.231431 -0.167540 -1.650930
H 1.405852 2.514473 -0.334601
H 5.220533 0.887479 0.216274
H 1.815900 -2.045782 -2.150662
H 2.441156 4.743549 -0.455702
H 4.134511 3.980041 -0.170233
H -0.482791 -3.728137 -0.907666
H -1.104854 1.171558 -0.797489
H -2.636672 -4.582981 0.113820
H -5.192797 -0.948120 1.194975
H -5.026444 1.549417 1.010438
H -4.093225 3.689294 1.441378
H -4.838270 3.585101 -0.205482
H -3.532691 4.784917 0.123235


