%chk=000001957.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001957

0 1
 O  -0.2589000      2.3600001E-02   1.786200    
 O  -0.7289000      -1.173300      -1.561300    
 N   -1.748900      -1.502500      0.8879000    
 N    1.191500      -2.338200     -0.9494000    
 N   -2.436800      0.4052000       3.578300    
 N    3.660400     -0.8517000     -0.6572000    
 N    6.201100       2.134800      0.7937000    
 C  -0.7516000      -2.467700      0.4443000    
 C   -1.544300      -3.736000      0.1495000    
 C   -2.919000      -3.209200     -0.2549000    
 C   -3.102600      -1.990500      0.6367000    
 C   -1.414700     -0.3575000       1.594100    
 C  -0.1152000      -1.908900     -0.7926000    
 C   -2.578200      0.4390000       2.128500    
 C   -2.550300       1.875100       1.605800    
 C    2.018200      -1.960500      -2.072800    
 C   -3.097500       1.995800      0.2026000    
 C    2.802600     -0.6850000      -1.807000    
 C   -2.243300       1.866700     -0.8926000    
 C   -4.457100       2.235800      2.2000000E-03
 C   -2.748400       1.977900      -2.188000    
 C   -4.962000       2.346800      -1.293300    
 C   -4.107600       2.217800      -2.388500    
 C    4.502500      0.1380000     -0.1764000    
 C    4.555600       1.376200     -0.8068000    
 C    5.297600     -0.1029000      0.9385000    
 C    5.413500       2.332200     -0.2873000    
 C    6.122400      0.9192000       1.380000    
 H  -4.1000000E-03  -2.615500       1.231300    
 H   -1.098200      -4.365600     -0.6263000    
 H   -1.641400      -4.333700       1.064000    
 H   -3.713500      -3.949000     -0.1232000    
 H   -2.908900      -2.908300      -1.309200    
 H   -3.550600      -2.268100       1.597000    
 H   -3.713000      -1.223900      0.1514000    
 H   -3.550800      1.3000000E-03   1.902800    
 H   -1.537300       2.298300       1.637900    
 H   -3.151700       2.525500       2.256700    
 H    1.600900      -2.952900     -0.2520000    
 H    1.383000      -1.829500      -2.955500    
 H    2.697700      -2.798300      -2.264200    
 H   -3.179000      0.9541000       4.010700    
 H   -2.559200     -0.5496000       3.914800    
 H    3.398500     -0.4526000      -2.697300    
 H    2.099200      0.1390000      -1.635100    
 H   -1.181900       1.682200     -0.7504000    
 H   -5.133400       2.335400      0.8469000    
 H    3.649100      -1.739000     -0.1661000    
 H   -2.083100       1.877000      -3.040500    
 H   -6.020600       2.532700      -1.449600    
 H   -4.500900       2.303900      -3.397200    
 H    3.962200       1.627100      -1.678400    
 H    5.282000      -1.056700       1.455600    
 H    5.492100       3.314200     -0.7420000    
 H    6.762300      0.7820000       2.245500    


%chk=000001957-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001957

0 1
O 0.286017 -1.510020 1.714099
O -0.729532 -2.793292 -2.315701
N -1.787203 -1.838692 0.720538
N 0.939330 -2.803431 -0.674817
N -0.950293 -0.008233 3.655748
N 2.432180 -0.349074 -0.270717
N 4.496527 3.251878 0.756953
C -1.369261 -3.127981 0.069052
C -2.700743 -3.734266 -0.424940
C -3.592200 -2.497023 -0.695130
C -3.224411 -1.521676 0.443316
C -0.942576 -1.143508 1.536501
C -0.367058 -2.882204 -1.102584
C -1.451556 0.107236 2.278452
C -0.980550 1.424111 1.534954
C 2.060552 -2.448596 -1.554823
C -1.670744 1.660004 0.203123
C 2.309475 -0.920510 -1.616186
C -1.123010 1.154552 -1.004773
C -2.914725 2.343248 0.147103
C -1.806124 1.307818 -2.231671
C -3.599856 2.504739 -1.078619
C -3.049816 1.981049 -2.272470
C 3.101260 0.830338 0.029212
C 3.780206 1.623564 -0.945041
C 3.138073 1.301979 1.380245
C 4.448416 2.794240 -0.530959
C 3.832142 2.485620 1.681243
H -0.869477 -3.752039 0.832995
H -2.548281 -4.337611 -1.333006
H -3.138929 -4.371397 0.364715
H -4.668718 -2.734887 -0.697691
H -3.320872 -2.059036 -1.670094
H -3.828073 -1.712785 1.352452
H -3.341184 -0.467591 0.147798
H -2.556660 0.114525 2.299565
H 0.118197 1.378584 1.418872
H -1.203767 2.257198 2.229491
H 1.060959 -2.725880 0.345952
H 1.831458 -2.816728 -2.569396
H 2.967132 -2.957844 -1.181986
H -1.122934 0.813176 4.241244
H 0.015083 -0.352427 3.697596
H 3.248514 -0.752991 -2.175986
H 1.490694 -0.442670 -2.197472
H -0.152440 0.645487 -0.978556
H -3.342203 2.759848 1.068332
H 1.832406 -0.740965 0.467026
H -1.370910 0.902369 -3.151646
H -4.555094 3.041441 -1.104718
H -3.579326 2.103571 -3.223809
H 3.781977 1.353244 -2.004852
H 2.643644 0.732108 2.176086
H 4.973610 3.409901 -1.271510
H 3.870171 2.851730 2.714291


