%chk=000086001.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086001

0 1
 O    3.349400       2.115200      -2.072000    
 O    4.084000       2.805100     -0.1218000    
 O    4.769100      -3.731800      0.6965000    
 O    6.139900      -2.344200     -0.3107000    
 N  -0.1573000       1.085100      0.8509000    
 N    1.045500       1.349700      0.3018000    
 N    3.592500       1.918300     -0.8584000    
 N    5.025400      -2.607300      0.2024000    
 C   -3.277000       2.709800     -0.1251000    
 C   -2.348300       2.906400      -1.324200    
 C   -2.558900       1.682800      0.6907000    
 C  -0.9247000       2.738300     -0.7946000    
 C   -1.123200       1.747000      0.3160000    
 C   -4.521100      0.7397000       1.927500    
 C   -5.120500     -0.6291000       1.595500    
 C   -3.069300      0.8014000       1.551500    
 C   -5.103200     -0.9532000      9.8600000E-02
 C   -5.767800      -2.288500     -0.2429000    
 C   -5.786000      -2.526300      -1.753400    
 C   -6.478500      -3.833700      -2.104100    
 C    2.053300      0.3732000      0.2676000    
 C    3.299700      0.6437000     -0.2973000    
 C    1.792000     -0.8847000      0.8109000    
 C    4.284700     -0.3435000     -0.3189000    
 C    2.777000      -1.872000      0.7892000    
 C    4.023300      -1.601400      0.2242000    
 H   -3.370700       3.642100      0.4427000    
 H   -4.267900       2.391700     -0.4608000    
 H   -2.494200       3.881300      -1.799800    
 H   -2.554100       2.136700      -2.080000    
 H  -0.2718000       2.373900      -1.592000    
 H  -0.5397000       3.677300     -0.3841000    
 H   -4.601100      0.9074000       3.008400    
 H   -5.113500       1.526500       1.449500    
 H   -6.156600     -0.6497000       1.955700    
 H   -4.583600      -1.413900       2.143500    
 H   -2.411900      9.3199998E-02   2.050400    
 H   -5.614700     -0.1480000     -0.4440000    
 H   -4.070100     -0.9757000     -0.2681000    
 H   -6.795000      -2.293600      0.1414000    
 H   -5.231300      -3.104300      0.2563000    
 H   -4.760100      -2.546500      -2.139200    
 H   -6.305100      -1.701200      -2.254900    
 H   -5.966600      -4.684400      -1.642900    
 H   -6.478400      -3.983900      -3.188100    
 H   -7.518300      -3.831100      -1.761500    
 H    1.263300       2.271700     -5.5700000E-02
 H   0.8340000      -1.134000       1.259400    
 H    5.250300     -0.1119000     -0.7644000    
 H    2.538300      -2.840400       1.221300    


%chk=000086001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086001

0 1
O 4.967354 1.836508 -1.676640
O 2.832882 2.601809 -1.443143
O 4.947533 -3.638408 1.399569
O 6.413430 -2.329603 0.230921
N -0.196882 0.955048 0.364423
N 1.076203 1.195775 -0.140400
N 3.768579 1.696481 -1.227603
N 5.241552 -2.575876 0.719195
C -3.244960 3.033985 0.152199
C -2.401024 3.592195 -1.029449
C -2.501902 1.769181 0.580750
C -0.941649 3.166572 -0.708774
C -1.110959 1.875347 0.091426
C -4.395157 0.561521 1.831605
C -5.029667 -0.822238 1.514657
C -2.995408 0.707627 1.288432
C -5.267015 -1.058648 0.006335
C -5.906839 -2.431607 -0.298529
C -6.135033 -2.676264 -1.808023
C -6.774347 -4.049654 -2.106249
C 2.087807 0.288809 0.063831
C 3.420614 0.507752 -0.456800
C 1.853018 -0.916645 0.806716
C 4.450183 -0.434309 -0.239376
C 2.868758 -1.841758 1.020438
C 4.169473 -1.593186 0.492147
H -3.267285 3.763690 0.986744
H -4.292667 2.838653 -0.133938
H -2.504010 4.683501 -1.149804
H -2.721976 3.115949 -1.973678
H -0.326916 3.040208 -1.620049
H -0.434471 3.928753 -0.081063
H -4.357088 0.679303 2.936858
H -5.050412 1.370291 1.455245
H -5.993061 -0.905498 2.056733
H -4.374146 -1.623645 1.914174
H -2.304716 -0.124123 1.495300
H -5.920342 -0.253456 -0.391587
H -4.303049 -0.972944 -0.535719
H -6.876602 -2.513903 0.235944
H -5.259598 -3.237197 0.107563
H -5.164988 -2.595248 -2.339872
H -6.780211 -1.870410 -2.214177
H -6.134291 -4.873350 -1.737454
H -6.925105 -4.199522 -3.191111
H -7.759661 -4.144422 -1.611967
H 1.343875 2.042868 -0.683945
H 0.845829 -1.073948 1.196223
H 5.449972 -0.252088 -0.641459
H 2.695576 -2.760676 1.586377


