%chk=000223980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223980

0 1
S -4.827000 0.508596 -2.709257
S 5.680131 0.416691 1.443245
O -5.207176 2.154531 -2.790516
O -3.734546 0.361157 -3.642718
O -6.070065 -0.175864 -2.951897
O 6.148860 -0.390605 2.551180
O 6.171294 1.754828 1.271958
N -2.707060 0.273554 2.811575
N -0.928768 0.326321 0.349004
N -0.255607 0.255583 1.408068
N 6.238152 -0.572532 0.103007
N 6.604655 -1.093145 -2.190340
N 5.075804 0.709211 -1.518316
C -5.177563 0.342401 0.018096
C -4.647111 0.312903 1.336998
C -4.276319 0.392465 -1.100966
C -3.203802 0.306186 1.541115
C -2.340906 0.332289 0.402309
C -2.914106 0.381953 -0.898268
C -6.594910 0.317577 -0.146195
C -5.546650 0.286335 2.444405
C -7.436215 0.289402 0.941606
C -6.908730 0.278965 2.258671
C 3.968799 0.363887 1.373933
C 1.185302 0.281275 1.294077
C 3.259523 1.380080 0.723071
C 3.281970 -0.695887 1.985027
C 1.863675 1.344496 0.678068
C 1.891384 -0.746634 1.951142
C 5.973627 -0.308445 -1.233735
C 6.316042 -0.819840 -3.483683
C 4.823363 0.945448 -2.830781
C 5.425128 0.202211 -3.855517
H -2.218237 0.410226 -1.759150
H -7.032561 0.300516 -1.156113
H -5.148201 0.271479 3.460281
H -8.519275 0.271772 0.802327
H -7.591320 0.261512 3.106720
H -1.707096 0.264241 3.002460
H -3.317353 0.259609 3.615598
H 3.799750 2.206789 0.240405
H 3.841183 -1.485997 2.501650
H 1.308606 2.128145 0.163019
H 1.353274 -1.567974 2.422294
H 6.908292 -1.342406 0.284022
H -5.218976 2.546328 -3.673876
H 6.820992 -1.444443 -4.233107
H 4.114719 1.756232 -3.045123
H 5.211827 0.407280 -4.898876


%chk=000223980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223980

0 1
S -5.281695 1.812442 -2.471040
S 5.633623 1.053715 1.168005
O -6.029088 3.302640 -1.639140
O -4.083275 2.286488 -3.447864
O -6.506976 0.946497 -3.086214
O 6.159740 0.754789 2.677415
O 6.016472 2.422739 0.397415
N -2.564558 -0.496186 2.425460
N -1.099481 0.787475 0.254146
N -0.396837 0.311820 1.273168
N 6.311949 -0.429812 0.282055
N 7.239121 -1.469224 -1.591473
N 5.382635 0.119412 -1.822051
C -5.379069 0.459688 0.089897
C -4.704252 -0.082792 1.249750
C -4.550375 1.067436 -0.923470
C -3.249547 0.000541 1.357907
C -2.488622 0.628409 0.299597
C -3.177719 1.164664 -0.832566
C -6.802174 0.367398 0.006131
C -5.489781 -0.689681 2.276768
C -7.539574 -0.234059 1.032509
C -6.882874 -0.767020 2.177086
C 3.769598 0.805793 1.129509
C 1.013529 0.512574 1.165335
C 3.034519 1.352806 0.062323
C 3.197403 0.128979 2.218733
C 1.637025 1.202384 0.085351
C 1.796130 -0.016335 2.227345
C 6.312150 -0.582876 -1.097722
C 7.204589 -1.672132 -2.937993
C 5.399390 -0.094905 -3.167469
C 6.296725 -0.995160 -3.786137
H -2.583975 1.640532 -1.619440
H -7.314512 0.759657 -0.875943
H -5.010697 -1.108376 3.169169
H -8.629686 -0.296135 0.952351
H -7.465968 -1.236039 2.975862
H -1.518247 -0.366587 2.365504
H -3.035910 -0.947637 3.206964
H 3.551648 1.864699 -0.753301
H 3.825356 -0.247480 3.031959
H 1.011493 1.605752 -0.714882
H 1.294885 -0.534140 3.051063
H 7.064809 -0.879476 0.818585
H -6.524297 3.816630 -2.342050
H 7.934444 -2.387263 -3.332774
H 4.667384 0.472166 -3.752732
H 6.291371 -1.156107 -4.866203


