%chk=000208847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208847

0 1
S -0.508015 0.970514 0.585459
O -1.163156 0.072276 1.526030
O -0.432746 2.385007 0.907799
N -1.264346 0.875397 -0.958496
C -2.324603 1.877219 -1.241151
C -1.449513 -0.472165 -1.553010
C -3.714432 1.604453 -0.639002
C -2.408151 -1.406223 -0.793892
C 1.075172 0.353945 0.265483
C -3.780184 1.822146 0.867315
C -2.476526 -2.778842 -1.451877
C 2.002350 1.128569 -0.438517
C 1.438388 -0.913177 0.735164
C 3.651567 -0.637970 -0.219636
C 3.284768 0.636405 -0.685407
C 2.717791 -1.411830 0.492688
C 5.017947 -1.172483 -0.491110
H -2.418389 1.959207 -2.348673
H -1.949512 2.870412 -0.886411
H -0.442454 -0.944202 -1.633563
H -1.806348 -0.344826 -2.600897
H -4.446661 2.267987 -1.141070
H -4.034247 0.564885 -0.878223
H -2.099148 -1.503765 0.271182
H -3.421939 -0.947375 -0.751385
H -3.295000 2.759519 1.170228
H -4.815280 1.858595 1.221708
H -3.279496 1.012246 1.422668
H -1.498595 -3.273402 -1.464888
H -3.164646 -3.437844 -0.907945
H -2.832389 -2.719606 -2.486585
H 1.727445 2.127386 -0.793717
H 0.715763 -1.513277 1.302370
H 4.001410 1.243708 -1.234477
H 2.994358 -2.397647 0.860776
H 5.037453 -1.725229 -1.443383
H 5.773414 -0.377673 -0.565957
H 5.361451 -1.865642 0.289604


%chk=000208847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208847

0 1
S -0.501390 0.929930 0.743678
O -1.094616 -0.109277 1.865081
O -0.406685 2.523727 1.075874
N -1.335590 0.836998 -0.909109
C -2.262761 1.955196 -1.204736
C -1.553179 -0.536632 -1.418643
C -3.752214 1.830414 -0.794512
C -2.616321 -1.445582 -0.742243
C 1.216849 0.288755 0.299476
C -3.977085 1.713675 0.727898
C -2.627444 -2.842689 -1.400049
C 2.053744 1.103484 -0.479918
C 1.616027 -0.950626 0.821787
C 3.803645 -0.624913 -0.272467
C 3.353589 0.631342 -0.762625
C 2.922428 -1.400876 0.525362
C 5.195246 -1.130608 -0.606347
H -2.190935 2.107498 -2.301880
H -1.825797 2.851086 -0.722799
H -0.575597 -1.061002 -1.391683
H -1.802938 -0.407348 -2.492499
H -4.255998 2.744067 -1.172260
H -4.225347 0.979895 -1.322691
H -2.384155 -1.530076 0.334767
H -3.618757 -0.988104 -0.821864
H -3.533539 2.576210 1.258287
H -5.056146 1.682199 0.965124
H -3.511035 0.802238 1.143634
H -1.642137 -3.337889 -1.304322
H -3.378235 -3.497382 -0.922668
H -2.870643 -2.781961 -2.478402
H 1.706539 2.076691 -0.840352
H 0.931296 -1.522890 1.456357
H 4.029376 1.248514 -1.365867
H 3.261514 -2.363509 0.925103
H 5.187112 -1.712424 -1.548454
H 5.907603 -0.298398 -0.741556
H 5.587078 -1.793035 0.184720


