%chk=000269881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269881

0 1
S -2.481356 -0.692758 -1.079908
O 4.602697 0.528881 -1.578928
O 4.314974 2.377652 1.258207
O 5.482813 -0.712041 1.590745
O 5.758889 -2.356287 -1.943033
O -3.292705 -1.979569 1.572774
O -4.292618 1.765746 -1.236872
O -4.351294 2.103561 3.314099
N 2.326176 0.621132 -1.027403
N 0.648523 -0.581397 -2.047925
N 0.974371 1.640578 0.827707
N -1.368887 0.956159 0.731908
N -3.929830 0.016197 2.435406
N -4.431387 1.903263 1.020375
C 4.087116 1.084653 0.715735
C 3.657539 1.230134 -0.773977
C 5.459972 0.363999 0.656115
C 5.529016 -0.255533 -0.759978
C 5.135364 -1.736254 -0.818868
C 1.164998 0.862546 -0.287728
C 1.947049 -0.263555 -2.090852
C 0.117665 0.098648 -0.940635
C -3.934302 -0.310162 -0.052646
C -1.162872 0.192872 -0.361774
C -5.090261 -1.103264 -0.699076
C -3.666774 -0.855238 1.342750
C -4.209618 1.180744 -0.184389
C -6.408307 -0.901236 0.038707
C -0.302331 1.645418 1.280800
C -4.235602 1.399762 2.334050
H 3.358829 0.521247 1.341141
H 3.665150 2.287368 -1.143205
H 6.292379 1.072922 0.860610
H 6.505750 -0.080875 -1.267268
H 4.041531 -1.875061 -0.856621
H 5.551820 -2.300379 0.047238
H 3.453252 2.766956 1.561604
H 5.703224 -0.378380 2.490376
H 2.675817 -0.598642 -2.822185
H -4.834458 -2.187515 -0.715228
H -5.206659 -0.791497 -1.762358
H 5.381522 -2.010493 -2.779955
H -6.360066 -1.238213 1.081971
H -6.729674 0.148052 0.042025
H -7.212085 -1.476409 -0.442331
H -0.527114 2.253490 2.174185
H -3.761344 -0.348173 3.387140
H -4.627492 2.914350 0.940676


%chk=000269881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269881

0 1
S -2.670635 -0.679044 -1.328269
O 4.591930 0.129954 -1.632744
O 3.597792 1.900030 1.440059
O 6.166880 0.103964 1.678601
O 6.044032 -2.376721 -1.741852
O -3.536124 -2.110039 1.361686
O -4.245619 2.054394 -1.075004
O -4.273242 1.908978 3.563696
N 2.257082 0.366853 -1.164504
N 0.520907 -0.621781 -2.304025
N 0.992876 1.255957 0.786732
N -1.384260 0.722586 0.657563
N -3.984851 -0.100715 2.409754
N -4.336401 1.915181 1.229241
C 3.999310 0.784503 0.619400
C 3.605224 0.905839 -0.876026
C 5.535448 0.718434 0.520409
C 5.787489 -0.147100 -0.734240
C 5.865542 -1.657021 -0.479115
C 1.113687 0.588840 -0.399700
C 1.839662 -0.354351 -2.298713
C 0.045001 -0.033949 -1.121061
C -4.051236 -0.191737 -0.089821
C -1.238314 0.060770 -0.528387
C -5.345752 -0.794638 -0.740748
C -3.800681 -0.887413 1.260926
C -4.182314 1.341964 -0.043795
C -6.628166 -0.536447 0.078997
C -0.288305 1.281451 1.253443
C -4.199111 1.284668 2.475564
H 3.620024 -0.182762 1.015287
H 3.637722 1.967873 -1.193699
H 5.909314 1.751430 0.363783
H 6.667517 0.172223 -1.316368
H 4.963708 -2.008559 0.063465
H 6.752921 -1.885241 0.130374
H 2.582648 1.867687 1.473207
H 5.968110 0.666308 2.469978
H 2.546023 -0.653251 -3.067797
H -5.181783 -1.881915 -0.852421
H -5.445358 -0.350044 -1.747660
H 5.303635 -2.116147 -2.348475
H -6.578162 -0.995453 1.082562
H -6.834744 0.542351 0.196475
H -7.490568 -0.982825 -0.445616
H -0.458642 1.800712 2.199749
H -3.865537 -0.573057 3.312012
H -4.475279 2.930661 1.260279


