%chk=000227751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227751

0 1
S -3.927451 -1.073794 -0.966493
N 1.721462 -0.318738 0.808938
N 4.028907 -0.030904 0.920049
N 2.959387 -0.151707 -1.279827
N 5.359417 0.151296 -1.139630
N 6.370395 0.271073 1.003394
C -4.610427 1.514136 -0.203124
C -5.696941 1.089586 0.794981
C -4.522727 0.593610 -1.410050
C -2.259049 -0.795331 -0.483815
C -5.800614 2.068346 1.962365
C 0.394288 -0.478165 0.299239
C -1.957673 -0.652943 0.873790
C -1.249807 -0.783532 -1.447495
C -0.632147 -0.494281 1.273623
C 0.083537 -0.624043 -1.061915
C 2.908972 -0.167289 0.105214
C 5.230940 0.126190 0.254156
C 4.200529 0.009273 -1.829866
H -3.629369 1.572444 0.311663
H -4.814872 2.548562 -0.552204
H -6.674734 1.014766 0.280522
H -5.481675 0.071003 1.177199
H -5.515684 0.434796 -1.876512
H -3.866602 1.023991 -2.188852
H -6.571755 1.752226 2.674166
H -6.061891 3.077370 1.624218
H -4.856693 2.141570 2.514047
H -2.753087 -0.666891 1.622441
H -1.491258 -0.902937 -2.506145
H -0.400382 -0.384454 2.330652
H 0.866859 -0.616128 -1.827052
H 1.817505 -0.302319 1.835816
H 4.257889 0.023771 -2.932768
H 7.265941 0.375460 0.551724
H 6.327911 0.246488 2.009747


%chk=000227751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227751

0 1
S -4.057018 -1.261929 -0.824066
N 1.774386 -0.429103 0.774488
N 4.051511 -0.060627 0.897201
N 2.950880 -0.047987 -1.284921
N 5.353345 0.338812 -1.135937
N 6.364225 0.318136 0.981451
C -4.623139 1.521715 -0.257490
C -5.761431 1.254367 0.752119
C -4.539250 0.497369 -1.399662
C -2.292383 -0.973672 -0.375052
C -5.798693 2.297700 1.889264
C 0.438157 -0.604605 0.330574
C -1.894361 -1.027988 0.982187
C -1.313176 -0.743211 -1.370504
C -0.541300 -0.852309 1.332218
C 0.042140 -0.550049 -1.033631
C 2.942865 -0.172869 0.087497
C 5.221934 0.193427 0.240019
C 4.184993 0.204514 -1.811540
H -3.650770 1.554322 0.273973
H -4.765349 2.527045 -0.709511
H -6.732215 1.253226 0.214838
H -5.634710 0.238096 1.173489
H -5.516772 0.352661 -1.894903
H -3.797719 0.793980 -2.160825
H -6.621074 2.091802 2.598774
H -5.944664 3.319409 1.489717
H -4.850811 2.294538 2.460239
H -2.643918 -1.208427 1.759199
H -1.609375 -0.727525 -2.425364
H -0.244934 -0.900102 2.388079
H 0.799678 -0.370212 -1.798209
H 1.932055 -0.495453 1.784403
H 4.234063 0.310755 -2.899724
H 7.240773 0.506542 0.501122
H 6.321157 0.220150 1.992685


