%chk=000220012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220012

0 1
S -0.014358 1.229244 0.374528
N 3.739818 -0.254821 0.206173
C 6.178755 -0.644430 0.067518
C 5.058497 0.399490 -0.063870
C 2.622827 0.743410 0.224755
C 7.541393 -0.041643 -0.298165
C 1.308690 -0.024169 0.361061
C -2.694249 1.168478 0.192301
C -1.510730 0.207510 0.157936
C -3.984020 0.407622 0.020198
C 8.663431 -1.068647 -0.165090
C -4.498372 0.172398 -1.263973
C -4.673463 -0.076045 1.142450
C -5.692396 -0.536211 -1.421089
C -5.867200 -0.784004 0.979490
C -6.379380 -1.015452 -0.301091
H 6.209295 -1.051490 1.095835
H 5.956659 -1.510128 -0.589647
H 5.030544 0.795422 -1.104049
H 5.261045 1.265479 0.602709
H 2.641569 1.303685 -0.739449
H 2.728588 1.498520 1.035770
H 7.514536 0.348133 -1.335126
H 7.755906 0.831417 0.348882
H 3.775698 -0.746314 1.106212
H 1.179555 -0.728073 -0.483793
H 1.273060 -0.622554 1.288615
H -2.708643 1.738713 1.146752
H -2.595563 1.940476 -0.601984
H -1.581230 -0.546273 0.963191
H -1.465079 -0.339822 -0.801645
H 9.632541 -0.633393 -0.433876
H 8.746602 -1.447206 0.859983
H 8.499384 -1.932360 -0.820096
H -3.967899 0.542128 -2.139286
H -4.279660 0.100163 2.141416
H -6.088724 -0.715002 -2.419327
H -6.399867 -1.155890 1.853224
H -7.309160 -1.565861 -0.425643


%chk=000220012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220012

0 1
S -0.039555 1.594805 0.422986
N 3.762072 -0.064839 0.283304
C 6.163336 -0.685981 0.032628
C 5.116087 0.442174 -0.038928
C 2.691346 0.955183 0.250681
C 7.591950 -0.201048 -0.302812
C 1.319125 0.273142 0.368239
C -2.836034 1.294415 0.224325
C -1.538551 0.453743 0.200097
C -4.062566 0.412076 0.028337
C 8.642292 -1.329139 -0.213819
C -4.547454 0.124326 -1.273880
C -4.721744 -0.172840 1.140399
C -5.659606 -0.727067 -1.461839
C -5.834342 -1.025057 0.957718
C -6.306674 -1.306183 -0.345416
H 6.160358 -1.127544 1.052561
H 5.862897 -1.494058 -0.662438
H 5.088750 0.853679 -1.067907
H 5.434587 1.281264 0.632194
H 2.750812 1.484826 -0.718935
H 2.795086 1.732985 1.048565
H 7.599434 0.232017 -1.323817
H 7.872575 0.621511 0.386529
H 3.763300 -0.578713 1.176776
H 1.145372 -0.380015 -0.503277
H 1.250946 -0.330328 1.292287
H -2.896139 1.831409 1.189590
H -2.779980 2.059513 -0.572908
H -1.536778 -0.288040 1.018113
H -1.430037 -0.074361 -0.763602
H 9.654073 -0.960379 -0.463625
H 8.680290 -1.755932 0.806289
H 8.400133 -2.152197 -0.912223
H -4.053659 0.576007 -2.143616
H -4.364172 0.046649 2.154423
H -6.023691 -0.934467 -2.474613
H -6.334402 -1.464771 1.828304
H -7.171035 -1.964266 -0.488890


