%chk=000171431.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171431

0 1
 O  -0.9552000       1.307100      -1.610400    
 O  -0.9384000      -1.064900       1.592400    
 O   -3.373700      -1.997000     -0.9716000    
 N   -1.262000       3.815600     -0.8903000    
 N   0.4788000      0.7825000      0.1475000    
 N  -0.8257000      -2.509100     -0.2201000    
 N    6.983300     -0.6862000      8.7399997E-02
 N   -4.210700      -3.809000      0.1696000    
 C  -0.3694000       3.015900     -5.1600002E-02
 C  -0.9803000       3.046700       1.345200    
 C   -2.316100       3.762200       1.181300    
 C   -2.594800       3.703400     -0.3065000    
 C   0.6726000     -0.6115000     -0.1625000    
 C  -0.3225000       1.625700     -0.6071000    
 C    2.030400      -1.135000      0.3192000    
 C    3.207600     -0.3757000     -0.3020000    
 C    4.545500     -0.8955000      0.2302000    
 C  -0.4558000      -1.387600      0.5088000    
 C    5.719500     -0.1627000     -0.4172000    
 C   -1.839900      -3.431500      0.2340000    
 C   -3.193200      -2.993100     -0.2764000    
 H   0.6429000       3.433700     -6.2199999E-02
 H   -1.150400       2.050200       1.767500    
 H  -0.3461000       3.601500       2.045500    
 H   -2.219200       4.804500       1.509600    
 H   -3.110000       3.295600       1.772300    
 H   -3.064300       2.751100     -0.5783000    
 H   -3.248000       4.517200     -0.6335000    
 H   -1.251000       3.517800      -1.863600    
 H   0.5959000     -0.7312000      -1.250200    
 H    2.116900      -2.202900      8.1900001E-02
 H    2.088000      -1.055500       1.413000    
 H   0.9158000       1.144100      0.9906000    
 H    3.175200     -0.4847000      -1.392800    
 H    3.129300      0.6951000     -8.0899999E-02
 H    4.579900     -0.7674000       1.319600    
 H    4.622700      -1.971500      2.8999999E-02
 H    5.664600      0.9100000     -0.2037000    
 H    5.692200     -0.2834000      -1.505400    
 H  -0.3739000      -2.701500      -1.109200    
 H   -1.850900      -3.468400       1.327800    
 H   -1.601100      -4.421100     -0.1666000    
 H    7.038400      -1.686900     -9.9100001E-02
 H    7.013500     -0.5890000       1.101800    
 H   -4.038600      -4.620200      0.7550000    
 H   -5.176000      -3.625200     -8.3200000E-02


%chk=000171431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171431

0 1
O 0.365869 1.886500 -1.327176
O -1.383095 -1.179099 1.953978
O -1.637640 -4.844026 -1.298454
N 0.136072 4.392432 -0.105832
N 0.002056 0.745791 0.670718
N -1.243671 -2.649993 0.168453
N 6.563510 -0.740364 -0.792208
N -3.109484 -5.826219 0.209010
C -0.271796 3.194558 0.669232
C -1.809934 3.356707 0.914219
C -1.997039 4.892277 0.849808
C -1.033993 5.299661 -0.290682
C 0.139863 -0.600618 0.104083
C 0.062233 1.893205 -0.090587
C 1.569183 -1.197882 0.300302
C 2.675847 -0.377503 -0.395297
C 4.073878 -1.013823 -0.225308
C -0.901590 -1.491939 0.814216
C 5.197504 -0.192360 -0.916297
C -2.162212 -3.616178 0.759892
C -2.275090 -4.811786 -0.203146
H 0.252781 3.164634 1.648623
H -2.374976 2.873723 0.094437
H -2.138640 2.912245 1.869406
H -1.677668 5.357806 1.800496
H -3.040764 5.190242 0.650257
H -1.534246 5.155331 -1.275617
H -0.732194 6.360448 -0.214642
H 0.594404 4.119366 -0.986911
H -0.067873 -0.529755 -0.981415
H 1.573804 -2.234197 -0.095629
H 1.777161 -1.268125 1.387084
H -0.363134 0.771795 1.630991
H 2.437613 -0.271902 -1.472415
H 2.683663 0.650513 0.015699
H 4.313331 -1.112593 0.854894
H 4.072967 -2.043222 -0.643098
H 5.201697 0.836033 -0.505580
H 4.964892 -0.092202 -1.994373
H -0.874293 -2.908428 -0.755926
H -3.158517 -3.160496 0.927558
H -1.796687 -3.947568 1.751901
H 6.692952 -1.645432 -1.256088
H 6.919715 -0.756713 0.169016
H -3.617625 -5.787856 1.091294
H -3.223035 -6.640791 -0.394086


