%chk=000242167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242167

0 1
S 4.573915 -2.093343 0.612106
O 1.218641 -0.140039 0.199185
O 4.681429 1.882429 0.265173
N 1.013603 -2.148259 1.407975
N 2.536723 1.621327 -0.684734
N 0.051216 -2.659227 0.565738
N 2.017673 2.744379 -0.078537
N -5.271387 -6.800258 -3.252196
N -2.297805 8.566017 2.672676
C 4.109980 -0.995005 2.091556
C 5.318394 -0.870323 -0.623627
C 2.620114 -0.466790 2.229075
C 4.302662 0.042821 -1.347094
C 1.577798 -0.869746 1.164092
C 3.894494 1.265894 -0.504837
C -1.384871 -4.493792 -0.110635
C 0.107594 4.153390 0.426755
C -0.341692 -3.903628 0.745203
C 0.721385 2.961011 -0.181955
C -2.019466 -3.740947 -1.145157
C -1.312059 4.303437 0.393787
C -1.774033 -5.851990 0.095082
C 0.896364 5.168228 1.050070
C -3.014083 -4.330270 -1.949678
C -1.934528 5.432478 0.968369
C -2.770005 -6.449416 -0.707281
C 0.282244 6.297998 1.625198
C -3.400480 -5.692049 -1.739030
C -1.141256 6.442189 1.590888
C -4.419504 -6.296123 -2.562777
C -1.771385 7.598930 2.179721
H 4.388510 -1.585745 2.979429
H 4.794115 -0.135643 2.058916
H 5.835795 -1.527590 -1.340524
H 6.078274 -0.256844 -0.113238
H 2.634103 0.633323 2.202373
H 2.222920 -0.744298 3.225036
H 3.421153 -0.546613 -1.648184
H 4.750673 0.432160 -2.285252
H 1.465306 -2.749603 2.116198
H 1.919575 0.920005 -1.120990
H 0.082620 -4.561478 1.532577
H 0.039605 2.271740 -0.721227
H -1.716530 -2.701434 -1.298846
H -1.928916 3.530547 -0.083327
H -1.293097 -6.441602 0.886758
H 1.983176 5.048304 1.071808
H -3.498187 -3.749534 -2.741722
H -3.023855 5.541103 0.940297
H -3.063848 -7.491637 -0.544663
H 0.891035 7.073915 2.100967


%chk=000242167-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242167

0 1
S 4.429895 -2.076662 0.299554
O 1.030974 -0.424538 -0.192343
O 4.859067 2.384525 0.005818
N 0.882114 -2.348762 1.121599
N 2.603136 1.945343 -0.522030
N -0.056025 -2.950783 0.303233
N 2.142820 3.134418 0.011169
N -5.186351 -7.594246 -3.110109
N -1.962102 9.112518 2.637440
C 3.727695 -1.434818 1.935894
C 5.268040 -0.561108 -0.482116
C 2.438209 -0.580311 1.830285
C 4.329503 0.371178 -1.286533
C 1.402672 -1.089298 0.818227
C 3.978479 1.659583 -0.530103
C -1.463668 -4.862949 -0.165504
C 0.265646 4.529152 0.622327
C -0.466833 -4.154819 0.644384
C 0.833548 3.289749 0.080763
C -2.013585 -4.284382 -1.346605
C -1.148069 4.677040 0.692574
C -1.893348 -6.157934 0.236605
C 1.095426 5.593913 1.083032
C -2.966878 -4.983407 -2.101201
C -1.725267 5.851197 1.207671
C -2.848950 -6.864023 -0.515314
C 0.526399 6.767836 1.597393
C -3.394749 -6.281378 -1.692188
C -0.891942 6.909039 1.666098
C -4.373024 -6.998157 -2.466337
C -1.476141 8.111976 2.195672
H 3.563523 -2.361309 2.516046
H 4.515165 -0.858949 2.450662
H 6.018796 -1.027814 -1.141024
H 5.806786 0.000605 0.300330
H 2.692607 0.448311 1.534405
H 1.970773 -0.514789 2.834912
H 3.432197 -0.176321 -1.623711
H 4.865458 0.703499 -2.197915
H 1.249679 -2.842337 1.950516
H 1.939726 1.166784 -0.728317
H -0.086489 -4.683362 1.542860
H 0.121086 2.513933 -0.260242
H -1.676325 -3.288601 -1.649259
H -1.795537 3.865646 0.339228
H -1.476235 -6.612920 1.142905
H 2.181141 5.471582 1.024010
H -3.389107 -4.540196 -3.008285
H -2.812988 5.960140 1.258632
H -3.177134 -7.859968 -0.203164
H 1.164285 7.584576 1.949555


