%chk=000232724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232724

0 1
S 4.044245 0.344236 -0.676688
S -3.531641 1.539228 0.622585
N 1.456467 -0.311081 -0.460533
N -1.264745 0.124805 0.417180
C 0.802836 1.012632 -0.723383
C -0.578361 -1.198949 0.653142
C 0.456703 -1.425144 -0.481106
C -0.258239 1.238108 0.382640
C 0.187367 1.165380 -2.120762
C -1.597249 -2.345757 0.623179
C 2.610293 -0.582597 -1.342101
C -2.320444 0.414527 1.412512
C 4.121094 -0.183445 1.071023
C -4.011322 0.682313 -0.911252
C 5.230762 0.619772 1.713279
C -5.078288 -0.353103 -0.632649
H 1.600964 1.795383 -0.595230
H -0.039508 -1.205438 1.636546
H 0.986223 -2.383967 -0.299172
H -0.067034 -1.515623 -1.456971
H 0.261145 1.368543 1.357441
H -0.802019 2.186548 0.169907
H 0.907433 0.938205 -2.912500
H -0.682380 0.507660 -2.246916
H -0.166706 2.189537 -2.281728
H -2.200601 -2.319223 -0.293981
H -1.101730 -3.320712 0.671827
H -2.295572 -2.291276 1.467484
H 2.496242 -0.241077 -2.394264
H 2.852199 -1.664546 -1.360758
H -1.980583 0.939413 2.330605
H -2.844008 -0.512134 1.729781
H 3.140058 0.001603 1.551696
H 4.312425 -1.269503 1.124258
H -4.372947 1.468509 -1.601928
H -3.109856 0.228679 -1.373058
H 6.204128 0.442396 1.234769
H 5.039790 1.701276 1.667818
H 5.341056 0.357094 2.774129
H -4.708360 -1.161062 0.011302
H -5.954492 0.082146 -0.132351
H -5.433848 -0.816355 -1.562573


%chk=000232724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232724

0 1
S 4.193312 0.343061 -0.739541
S -3.450545 1.735452 0.594022
N 1.433141 -0.305863 -0.754355
N -1.112937 0.157832 0.452448
C 0.804703 1.029474 -0.906852
C -0.449563 -1.168127 0.648428
C 0.490606 -1.420151 -0.557419
C -0.125849 1.257405 0.301320
C 0.066035 1.226850 -2.257651
C -1.452468 -2.333654 0.759725
C 2.649645 -0.552701 -1.488610
C -2.196759 0.505256 1.364098
C 4.109447 -0.374521 1.011889
C -4.020595 0.679378 -0.871153
C 4.810354 0.564171 2.005734
C -5.084375 -0.363745 -0.497466
H 1.629567 1.766357 -0.836967
H 0.191607 -1.142625 1.567136
H 1.072810 -2.340763 -0.362840
H -0.148252 -1.608203 -1.454056
H 0.501387 1.352085 1.221647
H -0.692144 2.196297 0.164707
H 0.721329 0.977539 -3.112705
H -0.839320 0.597122 -2.308698
H -0.247787 2.280477 -2.370739
H -2.200527 -2.279217 -0.052477
H -0.914529 -3.294977 0.668635
H -1.983220 -2.351253 1.727180
H 2.658589 -0.176706 -2.532948
H 2.869156 -1.633348 -1.497584
H -1.870092 1.042325 2.282363
H -2.758457 -0.391364 1.659565
H 3.031080 -0.471143 1.236700
H 4.576510 -1.375097 1.003738
H -4.400973 1.403382 -1.611790
H -3.101662 0.214190 -1.271602
H 5.875657 0.705330 1.748714
H 4.327137 1.557098 2.014727
H 4.762090 0.144276 3.028572
H -4.699338 -1.080593 0.250757
H -5.981976 0.118152 -0.072516
H -5.391296 -0.942457 -1.390936


