%chk=000169651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169651

0 1
 O    3.526900      0.5581000      2.3000001E-03
 N    7.176500      0.1812000      0.2767000    
 C    7.391200      -1.059700     -0.4673000    
 C    8.320500       1.028200     -5.9400000E-02
 C    8.879600      -1.315600     -0.2818000    
 C    9.489800      5.6000002E-02 -1.0200000E-02
 C    5.904900      0.8105000     -4.7699999E-02
 C   -2.693100     -0.3512000      0.1977000    
 C   -3.965800      0.4158000     -0.1690000    
 C    4.745500     -0.1017000      0.3194000    
 C   -1.408400      0.4232000     -0.1137000    
 C   -5.251800     -0.3530000      0.1537000    
 C  -0.1353000     -0.3327000      0.2751000    
 C   -6.561000      0.3220000     -0.2706000    
 C    1.116100      0.4968000     -3.1500001E-02
 C   -7.810200     -0.4659000      0.1319000    
 C    2.399700     -0.2444000      0.3226000    
 C   -9.118700      0.2522000     -0.2144000    
 C   -10.36890     -0.5194000      0.2101000    
 C   -11.63750      0.1997000     -0.2239000    
 H    7.165600     -0.9420000      -1.535100    
 H    6.813700      -1.901700     -7.3799998E-02
 H    8.449400       1.850000      0.6519000    
 H    8.232100       1.449900      -1.068900    
 H    9.058900      -1.976700      0.5744000    
 H    9.319100      -1.786200      -1.167100    
 H    9.960300      6.2799998E-02  0.9799000    
 H    10.25660      0.3122000     -0.7482000    
 H    5.800500       1.751000      0.5084000    
 H    5.838900       1.079900      -1.110500    
 H   -2.677400      -1.305500     -0.3431000    
 H   -2.715900     -0.5936000       1.267300    
 H   -3.980300       1.375000      0.3626000    
 H   -3.948300      0.6478000      -1.240900    
 H    4.778600      -1.039000     -0.2461000    
 H    4.767500     -0.3330000       1.391400    
 H   -1.379900      0.6541000      -1.185800    
 H   -1.433600       1.383300      0.4166000    
 H   -5.283700     -0.5365000       1.235300    
 H   -5.201400      -1.339500     -0.3246000    
 H  -9.2299998E-02  -1.282300     -0.2717000    
 H  -0.1626000     -0.5743000       1.344400    
 H   -6.556700      0.4663000      -1.357800    
 H   -6.604800       1.320700      0.1810000    
 H    1.138400      0.7664000      -1.094900    
 H    1.084100       1.446400      0.5171000    
 H   -7.792700      -1.445900     -0.3605000    
 H   -7.783900     -0.6539000       1.212400    
 H    2.409100     -0.4767000       1.394100    
 H    2.450000      -1.184800     -0.2391000    
 H   -9.150100      0.4264000      -1.297300    
 H   -9.125500       1.239400      0.2643000    
 H   -10.37520     -0.6454000       1.298800    
 H   -10.35460      -1.521700     -0.2334000    
 H   -11.67440      0.3085000      -1.312600    
 H   -12.51980     -0.3662000      9.0899996E-02
 H   -11.69560       1.196900      0.2238000    


%chk=000169651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169651

0 1
O 3.537112 0.348153 -0.145202
N 7.257873 0.198711 0.149532
C 7.734643 -1.086728 -0.430139
C 8.344605 1.173782 -0.126398
C 9.265493 -1.101337 -0.145923
C 9.623109 0.378619 0.220126
C 5.923263 0.637352 -0.302099
C -2.762505 -0.441476 0.204321
C -4.047235 0.344709 -0.141317
C 4.810687 -0.270454 0.237540
C -1.465110 0.328700 -0.129204
C -5.344804 -0.430602 0.180061
C -0.181567 -0.450935 0.235346
C -6.630252 0.359034 -0.154964
C 1.111116 0.317315 -0.122599
C -7.927586 -0.419384 0.160487
C 2.377217 -0.446898 0.275459
C -9.213571 0.372360 -0.167697
C -10.510802 -0.408208 0.144960
C -11.790420 0.392221 -0.181202
H 7.545429 -1.125223 -1.534725
H 7.210957 -1.944033 0.028546
H 8.215802 2.082781 0.487873
H 8.361297 1.485141 -1.203728
H 9.510930 -1.778633 0.689581
H 9.823420 -1.451882 -1.031916
H 9.834405 0.463355 1.299860
H 10.503648 0.752363 -0.331020
H 5.738696 1.658639 0.078877
H 5.846331 0.679881 -1.418850
H -2.765956 -1.407480 -0.342920
H -2.769736 -0.696864 1.284918
H -4.048200 1.306332 0.413470
H -4.036293 0.608844 -1.219696
H 4.877874 -1.295106 -0.192614
H 4.894231 -0.349202 1.343348
H -1.450808 0.571421 -1.212273
H -1.466817 1.300529 0.406899
H -5.352238 -0.701659 1.256846
H -5.347056 -1.388783 -0.380833
H -0.188608 -1.429990 -0.288114
H -0.191074 -0.678313 1.322223
H -6.621152 0.634524 -1.230557
H -6.630339 1.314914 0.409777
H 1.145568 0.515007 -1.211594
H 1.119089 1.303291 0.381110
H -7.929679 -1.373026 -0.408167
H -7.934478 -0.699200 1.235063
H 2.407424 -0.609520 1.377611
H 2.404970 -1.446619 -0.217013
H -9.207448 0.654658 -1.241609
H -9.214344 1.324762 0.403021
H -10.514518 -0.692817 1.217179
H -10.510936 -1.357998 -0.428126
H -11.825748 0.662817 -1.253590
H -12.702908 -0.187405 0.051248
H -11.828901 1.331760 0.402010


