%chk=000276168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276168

0 1
S 9.180323 -1.243135 -0.026707
F 9.687834 -1.351230 1.468201
O -2.133195 0.303627 0.355821
O 8.559494 -2.512373 -0.258947
O 10.338589 -0.799337 -0.740708
N 3.384678 0.956129 -0.269236
N -8.700297 -1.526924 0.468090
N -8.914438 0.916867 0.362173
N -6.817225 -2.639572 -0.347543
N -7.246933 2.265237 -0.560188
N -10.618962 -0.425327 1.302750
C -4.407500 0.062362 -0.095779
C -5.534564 -0.084860 -1.128016
C -3.044145 0.157750 -0.775894
C -6.872474 -0.173745 -0.466846
C 4.272970 0.352432 0.771780
C 5.708574 0.690190 0.455758
C 1.980349 0.695581 -0.125489
C -0.785953 0.428504 0.089140
C -7.449193 -1.419755 -0.101468
C -7.659483 0.979970 -0.205472
C 6.671078 -0.321508 0.360300
C 1.190457 0.543466 -1.279820
C 1.364799 0.710355 1.147481
C -0.197709 0.414610 -1.179413
C -0.011244 0.575552 1.259532
C 8.004392 0.006802 0.088525
C 6.090439 2.030845 0.269593
C 8.381269 1.339934 -0.099801
C 7.420396 2.352288 -0.009920
C -9.386366 -0.344696 0.670756
H -4.572287 0.953906 0.542055
H -4.413952 -0.786199 0.617245
H -5.514529 0.762254 -1.845949
H -5.359517 -0.976115 -1.767011
H -2.775635 -0.756740 -1.330363
H -2.948591 1.044825 -1.423994
H 4.126488 -0.747602 0.869279
H 4.001268 0.791731 1.763514
H 3.729355 0.735081 -1.210462
H 6.381539 -1.371056 0.491291
H 1.652037 0.534218 -2.265759
H 1.967058 0.841880 2.045268
H -0.790366 0.305100 -2.081882
H -0.507499 0.584597 2.228579
H 5.333193 2.818616 0.337352
H 9.423432 1.595007 -0.325029
H 7.710579 3.392850 -0.158331
H -5.813536 -2.655775 -0.423599
H -7.232445 -3.470729 0.056028
H -7.802992 3.043240 -0.226123
H -6.260671 2.448771 -0.644748
H -11.216350 0.387736 1.301651
H -11.066040 -1.326836 1.376037


%chk=000276168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276168

0 1
S 9.756779 -0.555082 0.404603
F 10.061550 -0.063599 2.170786
O -2.144935 -0.120943 0.568098
O 9.429515 -2.127533 0.445264
O 10.980136 0.049069 -0.443603
N 3.448239 0.211147 -0.336924
N -9.020715 -1.228271 0.220650
N -8.982446 1.208957 0.415476
N -7.202145 -2.430843 -0.574820
N -7.124450 2.464871 -0.182010
N -10.868651 -0.036185 1.016424
C -4.501338 -0.073886 0.048096
C -5.605873 0.046479 -1.042522
C -3.093390 -0.008809 -0.549101
C -7.015782 0.022911 -0.481647
C 4.441918 0.049297 0.725191
C 5.795274 0.609470 0.303349
C 2.058360 0.095617 -0.114363
C -0.769413 -0.046931 0.265515
C -7.742175 -1.188996 -0.277180
C -7.704278 1.209055 -0.084959
C 6.978066 -0.136748 0.515688
C 1.164865 0.172996 -1.217546
C 1.502699 -0.072518 1.187632
C -0.231898 0.099515 -1.037923
C 0.108400 -0.134613 1.370291
C 8.197718 0.448551 0.139478
C 5.891252 1.901073 -0.280289
C 8.332566 1.719689 -0.437533
C 7.139086 2.448967 -0.649229
C -9.576979 -0.017628 0.530257
H -4.617437 0.736530 0.791332
H -4.619824 -1.023553 0.601875
H -5.442425 0.977952 -1.624620
H -5.476044 -0.768114 -1.786203
H -2.926357 -0.838240 -1.270780
H -2.933787 0.953635 -1.082962
H 4.559483 -1.009628 1.050707
H 4.092153 0.612316 1.614028
H 3.774402 0.029481 -1.287434
H 6.947162 -1.142960 0.947600
H 1.567312 0.300900 -2.230489
H 2.149148 -0.169338 2.065233
H -0.881631 0.161965 -1.915942
H -0.319007 -0.261204 2.369881
H 4.969165 2.468610 -0.445485
H 9.313700 2.116957 -0.714827
H 7.191657 3.446874 -1.095616
H -6.246919 -2.548173 -0.893777
H -7.788246 -3.244989 -0.406767
H -7.685671 3.260208 0.112919
H -6.166172 2.601170 -0.483530
H -11.314026 0.841145 1.266965
H -11.342091 -0.927825 1.124450


