%chk=000258245.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258245

0 1
S 2.451776 -0.512189 1.205090
S -2.452000 -0.511546 -1.205719
O 2.654064 -1.888127 1.601797
O 1.899271 0.439884 2.154592
O -2.654419 -1.887372 -1.602730
O -1.899375 0.440617 -2.155063
O 5.960964 -1.586254 -2.456683
O -5.958998 -1.582849 2.459034
O 7.572685 -0.151630 -2.418601
O -7.570236 -0.147669 2.421497
N 1.460589 -0.537292 -0.215473
N -1.460873 -0.537027 0.214883
N 6.513247 -0.594998 -2.006319
N -6.511452 -0.591819 2.008382
C 0.656559 -1.776984 -0.406449
C 0.639803 0.685438 -0.433734
C -0.657086 -1.776903 0.405713
C -0.639841 0.685513 0.433297
C 3.937506 0.155313 0.606596
C -3.937673 0.156044 -0.607168
C 4.624769 -0.451901 -0.434663
C -4.624016 -0.450047 0.435351
C 4.455113 1.316528 1.205521
C -4.456191 1.316188 -1.207383
C 5.840615 0.098865 -0.894364
C -5.839855 0.100771 0.895007
C 5.652855 1.860884 0.758971
C -5.653961 1.860554 -0.760915
C 6.373675 1.266890 -0.297324
C -6.373880 1.267660 0.296607
C 7.648923 1.873122 -0.746033
C -7.649202 1.873834 0.745184
H 1.270992 -2.668991 -0.133211
H 0.442592 -1.874659 -1.497482
H 0.366454 0.729005 -1.520644
H 1.245070 1.593444 -0.230509
H -0.443141 -1.874746 1.496735
H -1.271694 -2.668755 0.132363
H -1.244930 1.593664 0.230175
H -0.366482 0.728888 1.520212
H 4.239708 -1.364492 -0.919939
H -4.238212 -1.361749 0.921703
H 3.906398 1.794145 2.031173
H -3.908141 1.792999 -2.033940
H 6.047215 2.761341 1.233310
H -6.049038 2.760159 -1.236273
H 8.490856 1.157619 -0.666850
H 7.621995 2.136338 -1.821319
H 7.931552 2.776890 -0.191470
H -7.933077 2.776166 0.188921
H -8.490667 1.157525 0.668383
H -7.621405 2.139409 1.819868


%chk=000258245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258245

0 1
S 2.531803 -0.396849 1.195264
S -2.531952 -0.397095 -1.195610
O 2.721138 -1.961648 1.615597
O 2.032599 0.731901 2.278495
O -2.721522 -1.961991 -1.615457
O -2.032578 0.731222 -2.279218
O 6.384582 -2.144208 -1.972787
O -6.385822 -2.142867 1.972995
O 8.126091 -0.684416 -2.031173
O -8.125224 -0.680600 2.033232
N 1.439271 -0.398103 -0.411338
N -1.439443 -0.398080 0.410983
N 6.942994 -1.027543 -1.647795
N -6.943018 -1.025414 1.648626
C 0.622892 -1.647697 -0.458217
C 0.615319 0.845610 -0.472472
C -0.623034 -1.647646 0.458058
C -0.615529 0.845663 0.471942
C 4.165861 0.246951 0.504952
C -4.165876 0.247221 -0.505452
C 4.930714 -0.587655 -0.310067
C -4.930672 -0.586859 0.310166
C 4.574809 1.535584 0.881922
C -4.574787 1.535668 -0.883127
C 6.169580 -0.091190 -0.778319
C -6.169394 -0.089965 0.778368
C 5.814459 1.997757 0.396150
C -5.814356 1.998202 -0.397475
C 6.651598 1.212894 -0.444418
C -6.651371 1.213892 0.443733
C 7.963542 1.809288 -0.909204
C -7.963310 1.810375 0.908410
H 1.276433 -2.498503 -0.199234
H 0.321516 -1.758617 -1.518791
H 0.275293 0.924265 -1.523510
H 1.257093 1.716702 -0.252613
H -0.321648 -1.758401 1.518647
H -1.276563 -2.498501 0.199205
H -1.257331 1.716704 0.251952
H -0.275510 0.924496 1.522969
H 4.612740 -1.597265 -0.584324
H -4.612768 -1.596341 0.584949
H 3.948526 2.138832 1.547369
H -3.948554 2.138481 -1.549016
H 6.155495 2.999631 0.676228
H -6.155409 2.999901 -0.678156
H 8.824673 1.216397 -0.556294
H 8.043162 1.816951 -2.009795
H 8.061758 2.841973 -0.535295
H -8.062142 2.842558 0.533298
H -8.824406 1.216701 0.556714
H -8.042322 1.819333 2.009041


