%chk=000240660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240660

0 1
S 2.252236 -0.668487 0.286562
S 1.590177 1.913736 -1.261201
O 3.459676 0.079756 0.628916
O 1.212563 -0.802841 1.275190
O 0.658336 2.355117 -0.248679
O 1.304406 2.203276 -2.656422
C 1.702407 0.109779 -1.205114
C 0.350288 -0.443114 -1.673708
C -0.816126 -0.262161 -0.694392
C 2.727935 -2.280494 -0.255362
C 3.203415 2.480155 -0.894258
C -2.154630 -0.569204 -1.381652
C 3.259003 -3.064209 0.936226
C 3.185968 3.993143 -0.745077
C -3.296992 -0.488048 -0.403658
C -3.696413 0.756387 0.110348
C -3.974721 -1.649848 -0.005870
C -4.762218 0.833966 1.008989
C -5.042623 -1.566031 0.892903
C -5.439589 -0.326124 1.401087
H 2.437374 -0.148579 -2.012107
H 0.455802 -1.518545 -1.925050
H 0.088361 0.044391 -2.645874
H -0.837971 0.772682 -0.277132
H -0.694318 -0.904895 0.205462
H 1.879158 -2.832795 -0.708463
H 3.501995 -2.249068 -1.047074
H 3.620485 2.020444 0.045679
H 3.944843 2.188406 -1.664282
H -2.328372 0.149522 -2.211069
H -2.120180 -1.568654 -1.857968
H 3.546813 -4.083265 0.645134
H 4.150683 -2.592435 1.376728
H 2.505991 -3.160090 1.734935
H 4.179991 4.370788 -0.467856
H 2.897701 4.500135 -1.677202
H 2.491530 4.320357 0.045459
H -3.166576 1.661631 -0.185254
H -3.669786 -2.619439 -0.391230
H -5.064603 1.800968 1.407628
H -5.564220 -2.470896 1.198579
H -6.269098 -0.262516 2.100931


%chk=000240660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240660

0 1
S 2.402558 -0.677953 0.325988
S 1.541085 2.047843 -1.302949
O 3.848109 0.095970 0.481273
O 1.347135 -0.718716 1.564444
O 0.677070 2.574269 -0.024828
O 1.004978 2.342129 -2.826744
C 1.622879 0.042771 -1.327984
C 0.265109 -0.506795 -1.732800
C -0.893698 -0.341566 -0.716095
C 2.828713 -2.536714 -0.140680
C 3.395560 2.690110 -1.146861
C -2.251470 -0.670544 -1.391426
C 3.566292 -3.144519 1.047800
C 3.358567 4.082191 -0.531812
C -3.432892 -0.532063 -0.440060
C -3.794141 0.740447 0.076709
C -4.189875 -1.662236 -0.040917
C -4.880799 0.877698 0.967269
C -5.278700 -1.529992 0.852134
C -5.628274 -0.258147 1.359368
H 2.435752 -0.134867 -2.055189
H 0.380852 -1.574736 -2.016769
H 0.002857 0.028518 -2.672005
H -0.908783 0.695072 -0.334715
H -0.739103 -0.989837 0.164627
H 1.846211 -2.992289 -0.342505
H 3.437868 -2.449799 -1.054923
H 3.867073 1.918476 -0.511624
H 3.733786 2.647555 -2.194514
H -2.382628 0.012690 -2.255677
H -2.221681 -1.700590 -1.800390
H 3.819612 -4.196084 0.817903
H 4.502677 -2.599652 1.256220
H 2.937753 -3.131903 1.954555
H 4.399906 4.407579 -0.348087
H 2.875217 4.821689 -1.191998
H 2.828791 4.071527 0.435870
H -3.220705 1.627710 -0.219771
H -3.925840 -2.652576 -0.433320
H -5.144825 1.867915 1.355671
H -5.852420 -2.415660 1.148877
H -6.471876 -0.152020 2.050736


