%chk=000217028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217028

0 1
S 2.615872 -0.082524 0.800533
O 3.014366 1.279163 0.471993
O 2.787793 -0.550123 2.165803
N -2.932060 -0.663795 -1.065779
N -5.462436 0.312769 -0.014776
N 3.462696 -1.216064 -0.187989
N -0.952264 0.626480 -0.820125
C -3.613997 0.524733 -1.659598
C -3.919054 -1.582188 -0.428278
C -4.463827 1.264354 -0.607444
C -4.761815 -0.845379 0.633720
C -1.659792 -0.529964 -0.507965
C -6.326634 1.017397 0.977618
C 0.988266 -0.286474 0.304304
C -1.053428 -1.577537 0.246828
C 0.268217 -1.442352 0.641175
C 4.727654 -1.747982 0.387014
C 3.467603 -0.966381 -1.653304
C 0.329428 0.723159 -0.420782
C 5.854845 -0.727010 0.536134
C 4.201845 0.294233 -2.105622
H -4.259189 0.151397 -2.488000
H -2.867784 1.218783 -2.110152
H -3.410071 -2.462597 0.019411
H -4.581264 -1.967249 -1.240551
H -3.800963 1.737313 0.149442
H -5.025603 2.085679 -1.103375
H -5.537250 -1.536396 1.030543
H -4.121365 -0.548217 1.491787
H -5.793497 1.451494 1.836372
H -7.084869 0.313839 1.358321
H -6.872592 1.826445 0.464579
H -1.618631 -2.470683 0.498389
H 0.749626 -2.237297 1.222227
H 4.475740 -2.178526 1.388885
H 5.067415 -2.597953 -0.246407
H 3.912707 -1.857932 -2.153413
H 2.404293 -0.928876 -1.988564
H 0.849315 1.662318 -0.686022
H 5.592096 0.079045 1.235527
H 6.102829 -0.248313 -0.422703
H 6.765051 -1.199158 0.920581
H 5.272500 0.249303 -1.856414
H 3.814166 1.200845 -1.609189
H 4.112964 0.443524 -3.185236


%chk=000217028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217028

0 1
S 2.892906 0.002028 0.751465
O 3.294235 1.549120 0.382690
O 3.166788 -0.584804 2.250392
N -2.975583 -0.382641 -0.511312
N -5.766023 0.226155 -0.141336
N 3.662333 -1.271705 -0.391122
N -0.915856 0.738853 -0.627592
C -3.611993 0.711766 -1.279725
C -3.926477 -1.438603 -0.116975
C -4.800485 1.296494 -0.493173
C -5.110568 -0.828061 0.664279
C -1.626377 -0.369670 -0.201997
C -6.987780 0.750138 0.499796
C 1.086910 -0.198344 0.337003
C -0.977543 -1.433929 0.522379
C 0.392013 -1.338069 0.795054
C 4.909473 -1.857750 0.181334
C 3.602276 -0.876922 -1.824626
C 0.409773 0.819883 -0.354636
C 6.076342 -0.906013 0.540418
C 4.623797 0.150984 -2.368142
H -3.983334 0.302939 -2.241021
H -2.847928 1.477432 -1.477990
H -3.436210 -2.204574 0.501174
H -4.320215 -1.929248 -1.030086
H -4.414419 1.821557 0.417711
H -5.316353 2.044717 -1.123029
H -5.849172 -1.622947 0.879353
H -4.733769 -0.433237 1.643576
H -6.793462 1.254983 1.479268
H -7.699838 -0.076116 0.675280
H -7.472764 1.481291 -0.171183
H -1.526419 -2.313028 0.865367
H 0.913820 -2.119281 1.356139
H 4.611608 -2.409572 1.089987
H 5.233010 -2.606252 -0.569577
H 3.687116 -1.829429 -2.386000
H 2.574659 -0.506509 -2.008193
H 0.936995 1.721479 -0.684765
H 5.766397 -0.199690 1.329849
H 6.438216 -0.328156 -0.324586
H 6.919160 -1.502818 0.936940
H 5.652808 -0.247770 -2.361489
H 4.593875 1.080704 -1.775400
H 4.366961 0.395917 -3.416000


