%chk=000277228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277228

0 1
S 6.527621 1.011543 1.136145
S -4.905737 -0.504320 2.399100
S 0.609978 2.535729 -1.160879
S -0.221686 0.851871 -1.962789
O 5.514603 3.136106 -0.160714
O -2.784760 1.144054 2.469688
N 4.330011 1.124074 -0.280727
N -3.526707 0.417458 0.374709
C 3.180603 1.622696 -1.079858
C -2.488997 1.095974 -0.444471
C 4.405131 -0.207231 0.216579
C -4.516643 -0.437865 -0.185414
C 5.557004 -0.437848 1.009179
C -5.363260 -1.018706 0.791293
C 2.014341 1.996043 -0.168367
C -1.319707 0.152241 -0.713860
C 5.380921 1.980600 0.121205
C -3.534122 0.509156 1.785720
C 3.489140 -1.241318 -0.012657
C -4.707728 -0.723638 -1.542862
C 5.809536 -1.678621 1.574240
C -6.396435 -1.872956 0.437069
C 3.750896 -2.490298 0.559545
C -5.751994 -1.585617 -1.892867
C 4.891717 -2.711285 1.342917
C -6.586686 -2.155051 -0.921787
H 3.526417 2.512123 -1.665527
H 2.892280 0.840415 -1.820545
H -2.954365 1.459301 -1.390259
H -2.145509 2.002707 0.116832
H 1.742923 1.169562 0.517546
H 2.280152 2.852376 0.493448
H -0.775046 -0.086887 0.221332
H -1.666709 -0.823947 -1.119311
H 2.601997 -1.085334 -0.621418
H -4.069969 -0.287409 -2.307367
H 6.697389 -1.849909 2.182767
H -7.045710 -2.314898 1.192818
H 3.050079 -3.309419 0.391103
H -5.918714 -1.818216 -2.945943
H 5.067396 -3.694646 1.775895
H -7.391647 -2.822312 -1.225607


%chk=000277228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277228

0 1
S 6.436123 0.820422 1.550258
S -4.897334 0.024513 2.414798
S 0.609597 2.803395 -1.124292
S -0.002267 0.838332 -2.098547
O 5.440348 3.190600 0.452156
O -2.756264 1.780579 2.040732
N 4.300941 1.170828 -0.031662
N -3.505310 0.522260 0.177560
C 3.264975 1.822013 -0.859945
C -2.500066 1.084888 -0.747716
C 4.324860 -0.216455 0.244217
C -4.448912 -0.464120 -0.192656
C 5.409914 -0.603288 1.079169
C -5.297345 -0.859719 0.878865
C 2.019534 2.180843 -0.026327
C -1.244804 0.194830 -0.821216
C 5.304418 1.954158 0.558264
C -3.519359 0.943388 1.517100
C 3.409243 -1.182729 -0.229158
C -4.603620 -1.042694 -1.471931
C 5.597394 -1.946050 1.448724
C -6.301218 -1.824973 0.691089
C 3.600545 -2.532607 0.142057
C -5.613702 -2.012538 -1.660203
C 4.682115 -2.914885 0.972152
C -6.456284 -2.402981 -0.591550
H 3.702867 2.736629 -1.292019
H 2.992999 1.141058 -1.685379
H -2.954355 1.207931 -1.745953
H -2.216449 2.081761 -0.369103
H 1.646753 1.322989 0.555747
H 2.222665 3.018390 0.664552
H -0.746513 0.130426 0.159152
H -1.479716 -0.826242 -1.174262
H 2.567681 -0.897180 -0.869150
H -3.960572 -0.747873 -2.307248
H 6.434220 -2.237665 2.090698
H -6.951188 -2.123498 1.519247
H 2.898883 -3.291552 -0.219718
H -5.743320 -2.465535 -2.648613
H 4.814364 -3.965325 1.250316
H -7.233840 -3.156022 -0.754304


