%chk=000099668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099668

0 1
 O    4.502000      9.6600004E-02   2.759900    
 O    4.045000      -2.321900      -1.267200    
 O    6.634200      0.5051000       2.124500    
 O    5.755700       3.034400      -2.198300    
 N    3.716600     -0.7103000      0.3680000    
 N   -2.230800      -3.003300     -0.3681000    
 N   -3.916400     -0.7554000     -0.1625000    
 N   -3.693100      0.6267000       2.224400    
 N    4.393600       4.460900      -1.011600    
 N   -4.561200       2.525600       1.223400    
 N   -5.194400       2.520200      -1.089500    
 N   -4.930300      0.5512000      -2.368200    
 N   -5.440800       4.451500      0.2111000    
 C    5.082700     -0.2560000      0.4351000    
 C    5.350100      0.8655000     -0.5761000    
 C    4.639600       2.181100     -0.2453000    
 C  -0.8572000      -2.684200     -0.3992000    
 C   -3.007600      -2.786300      0.8362000    
 C    1.860000      -2.055300     -0.4593000    
 C    3.307100      -1.720700     -0.4910000    
 C    5.490900      0.1669000       1.837100    
 C  -0.2411000      -2.144900      0.7301000    
 C  -0.1149000      -2.909100      -1.558500    
 C    1.117500      -1.830600      0.7000000    
 C    1.243700      -2.594600      -1.588500    
 C   -3.429200      -1.346700      0.9393000    
 C   -2.880200      -3.565300      -1.535600    
 C    5.001400       3.250000      -1.253100    
 C   -3.319100     -0.6631000       2.118900    
 C   -4.289900      0.5342000     -5.5199999E-02
 C   -4.183000       1.244100       1.142600    
 C   -4.803700       1.233600      -1.130400    
 C   -5.047100       3.100000      0.1071000    
 H    5.719500      -1.113700      0.1834000    
 H    6.432400       1.049000     -0.6158000    
 H    5.056900      0.5327000      -1.580400    
 H    3.552400       2.045100     -0.2600000    
 H    4.926400       2.545600      0.7471000    
 H    3.039000     -0.2053000      0.9291000    
 H   -3.928100      -3.384700      0.8072000    
 H   -2.489500      -3.141600       1.735100    
 H  -0.7543000      -1.957200       1.665300    
 H  -0.5478000      -3.326500      -2.462200    
 H    1.565600      -1.443500       1.610400    
 H    1.804700      -2.773000      -2.502200    
 H   -2.445300      -4.535000      -1.801800    
 H   -2.814800      -2.885000      -2.392200    
 H   -3.948300      -3.737300      -1.359800    
 H   -2.931900      -1.112700       3.025100    
 H    4.813900      0.3581000       3.652400    
 H    4.553200       5.256400      -1.620600    
 H    3.770600       4.606200     -0.2236000    
 H   -5.299100       1.078900      -3.149400    
 H   -4.297100     -0.2158000      -2.559200    
 H   -5.811900       4.925100     -0.6009000    
 H   -5.347400       4.929700       1.096500    


%chk=000099668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099668

0 1
O 5.237045 -0.585085 2.639576
O 3.941128 -1.515922 -1.886642
O 7.367987 -0.355001 1.742386
O 6.350689 3.758353 -0.871793
N 4.029249 -0.852561 0.331306
N -2.175838 -2.967723 -0.214292
N -4.120423 -0.704608 -0.202365
N -3.841656 0.984774 2.107670
N 4.091714 4.235419 -0.656749
N -4.947609 2.742049 0.948674
N -5.721426 2.393355 -1.380072
N -5.373251 0.335063 -2.469239
N -6.043273 4.410536 -0.257907
C 5.439951 -0.464113 0.209111
C 5.639862 0.916653 -0.493132
C 4.924371 2.080015 0.225848
C -0.844595 -2.550575 -0.326729
C -2.993631 -2.589056 0.947268
C 1.916211 -1.750737 -0.560321
C 3.349359 -1.372038 -0.763783
C 6.140838 -0.470025 1.561330
C -0.199713 -1.791397 0.703063
C -0.069227 -2.876409 -1.486614
C 1.146856 -1.409689 0.583887
C 1.271802 -2.481925 -1.591726
C -3.510599 -1.151221 0.924829
C -2.835328 -3.627801 -1.350480
C 5.196091 3.414155 -0.483233
C -3.387123 -0.285396 2.062309
C -4.586457 0.581522 -0.185467
C -4.466324 1.457694 0.958278
C -5.246120 1.130176 -1.367975
C -5.546356 3.133383 -0.213606
H 5.951913 -1.210334 -0.430815
H 6.719906 1.134883 -0.561216
H 5.252950 0.806531 -1.521086
H 3.839629 1.876749 0.297551
H 5.311107 2.181153 1.260070
H 3.622759 -0.859642 1.267248
H -3.860756 -3.274394 0.983440
H -2.427363 -2.757045 1.883351
H -0.750809 -1.476849 1.592923
H -0.517005 -3.441408 -2.308141
H 1.576284 -0.807728 1.394511
H 1.858846 -2.728683 -2.482819
H -2.335886 -4.581994 -1.609833
H -2.844419 -2.982182 -2.251573
H -3.880352 -3.847975 -1.084148
H -2.894446 -0.651683 2.972694
H 5.742306 -0.576583 3.496579
H 4.225210 5.140880 -1.107378
H 3.155039 3.951160 -0.376670
H -5.821634 0.697390 -3.307565
H -4.993783 -0.610686 -2.425192
H -6.496939 4.740120 -1.105669
H -5.947561 5.001859 0.563928


