%chk=000291484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291484

0 1
S 4.280380 0.227838 -0.934428
O 4.786360 -0.266680 -2.198892
O 4.764182 1.465685 -0.374357
N -3.877874 -0.159537 -0.815557
N -3.204978 1.238348 0.895817
N 2.586654 0.361378 -1.247259
C -2.477523 -0.037238 -0.916696
C -2.092314 0.829754 0.149009
C -0.708561 1.173006 0.335028
C 0.228209 0.610573 -0.572785
C -4.280591 0.649708 0.323047
C 1.620326 0.947849 -0.389476
C -1.531829 -0.590847 -1.818499
C -0.216751 -0.263069 -1.632590
C -0.290066 2.036811 1.379217
C -4.803232 -0.869742 -1.579103
C -5.672565 0.694593 0.641514
C 2.005408 1.818583 0.624039
C -6.573672 -0.007790 -0.115341
C 1.044595 2.353743 1.509336
C -6.125817 -0.798127 -1.238581
C 4.371835 -1.017924 0.255206
C -8.034380 0.015622 0.185686
C 4.635794 -2.333207 -0.144567
C 4.194121 -0.719330 1.609827
C 4.713713 -3.351291 0.809065
C 4.270249 -1.737404 2.565378
C 4.528253 -3.052316 2.163981
H -1.858051 -1.247185 -2.619183
H 0.535259 -0.674598 -2.308369
H -1.045066 2.441415 2.055735
H -4.423235 -1.454143 -2.420593
H -5.964289 1.304991 1.497422
H 3.044231 2.149071 0.728506
H 2.232661 0.039604 -2.160180
H 1.378763 3.032126 2.295216
H -6.869717 -1.342772 -1.818120
H -8.416400 -0.994369 0.396955
H -8.611647 0.411677 -0.663361
H -8.279975 0.639030 1.057117
H 4.790333 -2.565252 -1.204942
H 3.999741 0.310241 1.929976
H 4.919921 -4.374604 0.498507
H 4.128351 -1.504902 3.620223
H 4.586794 -3.847121 2.909171


%chk=000291484-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291484

0 1
S 4.475058 0.254641 -0.681324
O 5.254685 -0.399131 -1.952524
O 5.188143 1.252836 0.381273
N -3.310901 -0.361973 -0.648162
N -2.831712 1.337946 0.853503
N 3.012245 1.327322 -1.516516
C -1.955334 -0.037884 -0.825465
C -1.695403 1.009023 0.110294
C -0.380822 1.587456 0.194572
C 0.635113 1.075697 -0.703306
C -3.805158 0.509178 0.392040
C 1.952886 1.686667 -0.648483
C -0.960959 -0.556780 -1.691941
C 0.314847 0.006577 -1.618755
C -0.073855 2.616956 1.130402
C -4.127417 -1.292855 -1.270307
C -5.172545 0.386869 0.770101
C 2.222435 2.711774 0.288083
C -6.005434 -0.548929 0.149208
C 1.217693 3.162570 1.181353
C -5.454097 -1.394489 -0.886611
C 3.700905 -1.160966 0.320650
C -7.463565 -0.697788 0.531166
C 3.547794 -2.403866 -0.316443
C 3.323003 -0.905481 1.649458
C 2.972272 -3.455781 0.432722
C 2.739990 -1.969228 2.377284
C 2.563930 -3.235012 1.770109
H -1.169099 -1.371192 -2.393534
H 1.091110 -0.395176 -2.279562
H -0.870705 2.966074 1.794089
H -3.676916 -1.911971 -2.049522
H -5.539320 1.050434 1.557387
H 3.222436 3.155268 0.291589
H 2.745664 0.719735 -2.312717
H 1.451826 3.958151 1.896108
H -6.090243 -2.132028 -1.384846
H -7.679655 -1.722034 0.890008
H -8.124055 -0.513021 -0.337216
H -7.748047 0.007825 1.329124
H 3.896753 -2.546884 -1.344648
H 3.497893 0.076038 2.100767
H 2.849850 -4.442939 -0.025232
H 2.430085 -1.807222 3.414765
H 2.116225 -4.054207 2.343159


