%chk=000158081.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158081

0 1
 O   0.5157000     -5.5399999E-02 -0.3695000    
 O    3.918300      0.7070000     -0.9255000    
 O    1.519800       1.820300      -1.242300    
 O    2.716000      -1.664000      -1.719400    
 N   -4.139000     -0.9038000      0.1894000    
 C   -3.266100     -0.2399000     -0.8171000    
 C   -1.826300     -0.5868000     -0.4319000    
 C   -3.665300       1.233900     -0.8062000    
 C   -1.924200     -0.8334000       1.066500    
 C   -3.266500      -1.537700       1.188600    
 C   -5.004600      0.1290000      0.7778000    
 C   -5.091100       1.196600     -0.2951000    
 C  -0.7567000      0.4194000     -0.8203000    
 C    2.880500      0.1379000     -0.1107000    
 C    1.581000      0.7497000     -0.6487000    
 C    3.171900      0.5943000       1.350600    
 C    2.897900      -1.397500     -0.3233000    
 C    2.104800      0.1957000       2.374300    
 C    3.434800       2.105800       1.456400    
 C    4.199100      -2.071100      0.1065000    
 H   -3.493900     -0.6603000      -1.804600    
 H   -1.566400      -1.551600     -0.8933000    
 H   -3.595400       1.692000      -1.797300    
 H   -3.058900       1.822200     -0.1090000    
 H   -1.931100      0.1114000       1.623500    
 H   -1.103200      -1.451500       1.443100    
 H   -3.150300      -2.594600      0.9189000    
 H   -3.664900      -1.510100       2.208600    
 H   -4.567400      0.5671000       1.684400    
 H   -5.988800     -0.2761000       1.031200    
 H   -5.417500       2.163000      9.9399999E-02
 H   -5.779500      0.8943000      -1.093500    
 H  -0.9391000       1.395200     -0.3586000    
 H  -0.7351000      0.5371000      -1.910000    
 H    4.114800      0.1301000       1.665900    
 H    2.066900      -1.874600      0.2079000    
 H    1.927000     -0.8837000       2.361300    
 H    2.424400      0.4621000       3.387800    
 H    1.153700      0.7032000       2.184300    
 H    4.269000       2.419200      0.8211000    
 H    2.551200       2.688400       1.177000    
 H    3.696200       2.377500       2.485500    
 H    4.188200      -3.131100     -0.1717000    
 H    4.351500      -2.013200       1.187300    
 H    5.063700      -1.628600     -0.3992000    
 H    3.814500      0.3580000      -1.827500    
 H    2.666400      -2.628800      -1.830200    


%chk=000158081-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158081

0 1
O 0.578558 -0.066469 -0.178541
O 4.075332 0.929143 -0.734493
O 1.550986 1.556129 -1.531640
O 2.935710 -1.284754 -2.077026
N -4.173134 -0.648735 0.593361
C -3.244151 -0.365688 -0.564814
C -1.803588 -0.504918 0.026539
C -3.678620 1.030253 -1.096988
C -1.989945 -0.135656 1.520296
C -3.364331 -0.781873 1.842268
C -5.268170 0.367487 0.600196
C -5.198153 1.031010 -0.798359
C -0.762210 0.310359 -0.732878
C 3.014616 0.111670 -0.145169
C 1.661644 0.629256 -0.698112
C 3.167907 0.307706 1.399451
C 3.174496 -1.367087 -0.615487
C 2.412788 -0.720471 2.273308
C 2.797904 1.754369 1.803880
C 4.559730 -1.952932 -0.313487
H -3.389794 -1.114907 -1.368644
H -1.511778 -1.572118 -0.034454
H -3.446130 1.175610 -2.166508
H -3.189612 1.841865 -0.523223
H -2.040867 0.965001 1.638485
H -1.170828 -0.510987 2.157393
H -3.229279 -1.849949 2.105776
H -3.881496 -0.293992 2.689869
H -5.102856 1.135738 1.392784
H -6.252990 -0.099096 0.788967
H -5.644234 2.040418 -0.805658
H -5.733016 0.412855 -1.543120
H -0.893604 1.399650 -0.606473
H -0.752385 0.082259 -1.814996
H 4.256216 0.184523 1.572506
H 2.373786 -1.977720 -0.154174
H 2.747798 -1.758495 2.095210
H 2.594515 -0.492293 3.339760
H 1.325508 -0.675688 2.090615
H 3.306763 2.481668 1.149645
H 1.705636 1.921576 1.738137
H 3.103204 1.947414 2.848385
H 4.661927 -2.960471 -0.761206
H 4.726194 -2.058885 0.773438
H 5.341921 -1.293386 -0.725052
H 3.804092 1.146369 -1.665306
H 3.139941 -2.159161 -2.492061


