%chk=000202023.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202023

0 1
S 0.345402 -1.210289 0.040607
N -3.647948 -0.593065 0.004839
C -4.184141 -1.169231 -1.272916
C -4.627669 -0.770391 1.127843
C -5.496077 -0.462917 -1.653155
C -5.947955 -0.060527 0.783144
C -6.534298 -0.589866 -0.531403
C -2.321421 -1.207999 0.353344
C -1.240793 -0.417145 -0.384944
C 1.588052 -0.051381 -0.658980
C 1.424407 1.291601 -0.009194
C 2.902334 -0.748734 -0.436916
C 1.352122 2.438693 -0.815372
C 3.109473 -2.000964 -1.044568
C 1.328942 1.421929 1.386070
C 3.929396 -0.181235 0.330623
C 1.182820 3.698196 -0.232973
C 4.319580 -2.675044 -0.871262
C 1.159065 2.682469 1.962453
C 5.140757 -0.859684 0.497720
C 1.084725 3.823036 1.155573
C 5.338854 -2.107207 -0.099075
H -4.349314 -2.266693 -1.212713
H -3.425761 -0.998326 -2.067359
H -4.186951 -0.307152 2.037597
H -4.822951 -1.838340 1.363707
H -5.887849 -0.886498 -2.595063
H -5.291345 0.608763 -1.850060
H -5.764201 1.029475 0.695316
H -6.667779 -0.192164 1.610644
H -7.449898 -0.028690 -0.793731
H -6.842744 -1.645692 -0.414298
H -2.266684 -2.290704 0.103610
H -2.154869 -1.131656 1.452138
H -1.248109 0.645802 -0.070811
H -1.395231 -0.428699 -1.477993
H 1.406963 0.030987 -1.762663
H 1.430711 2.354134 -1.897741
H 2.324003 -2.455618 -1.648907
H 1.383850 0.536243 2.021977
H 3.794755 0.793897 0.798972
H 1.126692 4.583108 -0.864692
H 4.469306 -3.646746 -1.338964
H 1.081987 2.776530 3.044560
H 5.931445 -0.410781 1.096668
H 0.950087 4.803353 1.607853
H 6.280660 -2.634676 0.034795


%chk=000202023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202023

0 1
S 0.316442 -1.358181 0.270313
N -3.784893 -0.680101 0.084552
C -4.278051 -1.370141 -1.135658
C -4.815639 -0.666807 1.154922
C -5.542621 -0.683154 -1.689323
C -6.099487 0.041482 0.673474
C -6.646124 -0.625953 -0.609033
C -2.471557 -1.195406 0.543268
C -1.320393 -0.540181 -0.242206
C 1.546181 -0.103796 -0.527274
C 1.441866 1.298470 0.065275
C 2.931923 -0.742343 -0.441431
C 1.665653 2.414784 -0.781996
C 3.308735 -1.702859 -1.416886
C 1.167888 1.530946 1.436723
C 3.849747 -0.420618 0.589368
C 1.623631 3.731742 -0.271704
C 4.573211 -2.326994 -1.366076
C 1.125224 2.846617 1.949923
C 5.116061 -1.046479 0.643149
C 1.354264 3.952640 1.098808
C 5.483172 -2.000613 -0.332618
H -4.513084 -2.446273 -0.914633
H -3.478525 -1.361909 -1.898891
H -4.397906 -0.138013 2.031902
H -5.075782 -1.708589 1.484033
H -5.898095 -1.232423 -2.582510
H -5.279979 0.344204 -2.007185
H -5.860244 1.102188 0.464989
H -6.856593 0.018056 1.480944
H -7.530153 -0.076941 -0.984925
H -6.981727 -1.657147 -0.372230
H -2.407013 -2.309474 0.458453
H -2.349602 -0.949283 1.614361
H -1.263523 0.534645 -0.006300
H -1.444719 -0.669938 -1.330963
H 1.246819 -0.066883 -1.591161
H 1.879422 2.250336 -1.845673
H 2.599473 -1.966119 -2.211198
H 0.965224 0.671888 2.086914
H 3.580321 0.329013 1.340084
H 1.796048 4.581718 -0.941704
H 4.848969 -3.065161 -2.127662
H 0.908613 3.008842 3.012086
H 5.816385 -0.785982 1.444902
H 1.316500 4.973201 1.496123
H 6.466337 -2.482907 -0.291026


