%chk=000213296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213296

1 1
S 3.425493 1.194717 2.323504
O 1.911736 -0.985948 1.664605
O -0.398041 0.753987 -0.399250
N -3.316649 -0.827409 -0.278132
N -0.700402 -0.039752 1.680134
C -3.377052 0.492371 -1.054294
C -4.626913 -1.606360 -0.492660
C -3.116541 -0.615000 1.227748
C -4.598233 1.329605 -0.678500
C -5.860014 -0.781439 -0.113864
C -5.901063 0.548868 -0.869713
C -2.187248 -1.663600 -0.844480
C -2.093152 0.461140 1.638200
C 0.123069 0.253040 0.600294
C -0.218409 -0.602594 2.961470
C 1.652640 -0.044822 0.603277
C 2.027872 -0.689641 -0.722375
C 2.347548 1.221856 0.959117
C 2.750584 -0.010412 -1.706714
C 1.629076 -2.020999 -0.940232
C 2.281827 2.473368 0.419256
C 3.129816 3.421317 1.102807
C 3.073020 -0.657788 -2.906617
C 1.955916 -2.662238 -2.134176
C 3.814631 2.881097 2.148693
C 2.678314 -1.979255 -3.121926
H -3.388570 0.262651 -2.145189
H -2.418571 1.061684 -0.876125
H -4.692097 -1.898552 -1.568144
H -4.591505 -2.553642 0.090484
H -2.837216 -1.591922 1.689357
H -4.105880 -0.330239 1.668543
H -4.609499 2.245261 -1.312946
H -4.523385 1.708068 0.360197
H -5.898825 -0.603583 0.981172
H -6.773459 -1.375909 -0.340333
H -6.091662 0.374776 -1.948753
H -6.762736 1.156756 -0.520726
H -1.926278 -2.509468 -0.187955
H -2.432583 -2.066824 -1.842562
H -1.260859 -1.054194 -0.981488
H -2.379891 0.843553 2.649305
H -2.145077 1.349211 0.952935
H 0.127129 -1.644638 2.814562
H -0.998288 -0.592173 3.735475
H 0.653640 -0.030567 3.342962
H 2.761289 -1.469932 1.495970
H 3.075158 1.020202 -1.551598
H 1.082795 -2.555981 -0.164383
H 1.665645 2.755872 -0.427178
H 3.194144 4.456219 0.787452
H 3.640136 -0.124886 -3.671650
H 1.660650 -3.698054 -2.298456
H 4.510976 3.365747 2.815460
H 2.936895 -2.482843 -4.054459


%chk=000213296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213296

1 1
S 3.622479 0.284599 2.325075
O 1.547174 -1.583478 1.117438
O -0.420971 0.341827 -0.933639
N -3.557401 -0.932382 0.105808
N -0.669451 0.280125 1.362544
C -3.553069 -0.177229 -1.250544
C -4.965798 -1.547394 0.330316
C -3.228367 -0.015230 1.309322
C -4.661769 0.880705 -1.334238
C -6.110296 -0.524956 0.215742
C -6.058080 0.253555 -1.118965
C -2.548101 -2.075422 0.022374
C -1.997488 0.911410 1.209312
C 0.095859 0.128437 0.212528
C -0.199995 0.090396 2.755666
C 1.599817 -0.298834 0.351618
C 2.218331 -0.577423 -1.031687
C 2.344244 0.763658 1.143154
C 3.243140 0.231239 -1.575199
C 1.765514 -1.706112 -1.766980
C 2.242533 2.144801 1.050806
C 3.162910 2.854333 1.907741
C 3.807727 -0.081560 -2.832528
C 2.331644 -2.019794 -3.019260
C 3.972580 2.014434 2.653286
C 3.356178 -1.205645 -3.557670
H -3.717634 -0.961230 -2.012981
H -2.534621 0.226106 -1.385484
H -5.072806 -2.326639 -0.445331
H -4.945477 -2.038757 1.319221
H -3.139991 -0.690002 2.179980
H -4.113713 0.620939 1.463907
H -4.595572 1.342382 -2.336121
H -4.485737 1.699281 -0.609924
H -6.109121 0.174328 1.072736
H -7.055390 -1.093492 0.294117
H -6.284652 -0.433264 -1.958443
H -6.837021 1.035165 -1.128602
H -2.505156 -2.594875 0.992220
H -2.878220 -2.774432 -0.761846
H -1.564027 -1.668256 -0.238355
H -2.117957 1.636407 2.038205
H -2.006105 1.483974 0.267537
H -1.033287 -0.298786 3.369357
H 0.147157 1.047144 3.187585
H 0.615618 -0.642677 2.782091
H 2.313234 -2.141803 0.822514
H 3.606878 1.099942 -1.018909
H 0.966614 -2.335883 -1.359024
H 1.541838 2.644976 0.375595
H 3.221367 3.943743 1.964564
H 4.603563 0.550147 -3.240885
H 1.977635 -2.894130 -3.576149
H 4.745089 2.264476 3.378486
H 3.798050 -1.448140 -4.529981


