%chk=000146560.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146560

0 1
 O   -4.657600      -2.708600      5.7000000E-02
 N   -2.171500       2.173500     -9.0700001E-02
 N    3.123000      -1.345600      0.1858000    
 N    4.079000      0.7632000      0.1209000    
 C  -0.7803000      0.4361000      1.6799999E-02
 C  -0.8418000       1.826400     -4.3200001E-02
 C   0.4868000     -0.1809000      7.3399998E-02
 C    1.650900      0.6120000      6.8499997E-02
 C   -2.125200     -5.2999999E-02  4.9000001E-03
 C   0.2996000       2.637800     -4.9100000E-02
 C    1.559100       2.016600      7.6000001E-03
 C   -2.970100       1.054800     -6.2899999E-02
 C    2.928900      5.2400000E-02  0.1226000    
 C   0.5300000      -1.678300      0.1367000    
 C   -2.702200      -1.339600      4.5899998E-02
 C   0.1630000       4.127400     -0.1144000    
 C    2.738000       2.770400      4.6999999E-03
 C   -4.364800      0.9429000     -9.2399999E-02
 C   -4.095400      -1.467900      1.7500000E-02
 C   -4.912600     -0.3420000     -5.0900001E-02
 C    3.952900       2.104900      6.1799999E-02
 C    4.356800      -1.972600     -0.1695000    
 C    4.262800      -3.482200      3.7500001E-02
 C    5.572100      -4.172000     -0.3135000    
 C   -6.081700      -2.775800      2.5100000E-02
 H   -2.525800       3.118100     -0.1395000    
 H    1.233200      -2.110300     -0.5793000    
 H   0.6803000      -2.039800       1.157500    
 H  -0.3680000      -2.141000     -0.2454000    
 H   -2.145200      -2.260800      0.1441000    
 H   0.6099000       4.591000      0.7717000    
 H   0.6530000       4.516700      -1.013300    
 H  -0.8774000       4.461200     -0.1533000    
 H    2.745700       3.854300     -4.0300000E-02
 H   -5.000900       1.820300     -0.1454000    
 H    2.655600      -1.769700      0.9809000    
 H   -5.996700     -0.3867000     -7.5499997E-02
 H    4.887400       2.656400      6.1299998E-02
 H    4.596700      -1.760900      -1.218400    
 H    5.176400      -1.581600      0.4459000    
 H    4.007400      -3.704000       1.080900    
 H    3.456200      -3.894700     -0.5805000    
 H    5.838700      -3.997900      -1.360800    
 H    6.389800      -3.805800      0.3155000    
 H    5.483800      -5.252200     -0.1606000    
 H   -6.355500      -3.835300      6.4000003E-02
 H   -6.483600      -2.377800     -0.9129000    
 H   -6.527900      -2.299700      0.9049000    


%chk=000146560-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146560

0 1
O -4.787781 -2.697694 -0.000389
N -2.195910 2.249628 0.214352
N 3.183594 -1.408120 0.007111
N 4.093247 0.683319 -0.392283
C -0.829046 0.413453 -0.110378
C -0.858544 1.852300 0.058980
C 0.396395 -0.258283 -0.314403
C 1.610281 0.516567 -0.239494
C -2.222253 -0.047831 -0.036267
C 0.286673 2.654385 -0.001018
C 1.542359 1.975395 -0.148477
C -3.036977 1.123826 0.165386
C 2.966012 -0.056553 -0.228247
C 0.351024 -1.725554 -0.723025
C -2.854417 -1.311093 -0.076720
C 0.214112 4.168073 0.076296
C 2.766301 2.723777 -0.269559
C -4.433033 1.050140 0.298151
C -4.261403 -1.388381 0.057381
C -5.051470 -0.220920 0.237679
C 3.969464 2.050596 -0.452043
C 4.539851 -1.977150 0.090477
C 4.476174 -3.512544 0.212664
C 5.883137 -4.134693 0.336262
C -6.235366 -2.846636 0.132927
H -2.510634 3.205908 0.351405
H 1.230706 -2.013600 -1.318896
H 0.272374 -2.416453 0.143038
H -0.540069 -1.903435 -1.347324
H -2.303580 -2.246624 -0.191445
H 0.810545 4.561371 0.921034
H 0.605369 4.639704 -0.845269
H -0.819093 4.532424 0.210795
H 2.754248 3.815725 -0.243782
H -5.040206 1.949182 0.449107
H 2.423206 -1.965724 0.390866
H -6.138407 -0.288559 0.338188
H 4.905478 2.596746 -0.616461
H 5.103325 -1.676596 -0.810928
H 5.090013 -1.542486 0.951623
H 3.872409 -3.791561 1.102032
H 3.956293 -3.929642 -0.672502
H 6.501383 -3.892989 -0.548107
H 6.409725 -3.750881 1.229761
H 5.828370 -5.234796 0.420884
H -6.421956 -3.928420 0.058957
H -6.774874 -2.320975 -0.680081
H -6.594252 -2.474624 1.113343


