%chk=000280817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280817

0 1
S -4.227732 0.907404 -0.666406
P 2.591634 0.262011 0.685413
O 1.328557 -0.769539 0.316935
O 3.101006 0.642262 -0.828383
O 3.674531 -0.856210 1.133404
O 2.341130 1.364431 1.618676
C -2.019157 -0.643745 -1.061730
C -1.843898 1.106114 0.650152
C -2.586731 0.409027 -0.318977
C 0.046998 -0.293808 0.134984
C -0.682446 -0.995399 -0.835996
C -0.505798 0.749824 0.882205
C -2.809696 -1.386902 -2.084539
C -2.446841 2.214722 1.443864
C 2.869914 2.003878 -1.287417
C 3.919764 -1.947346 0.177050
C 1.423197 2.202366 -1.694789
C 5.087929 -2.685944 0.798045
C -5.213140 -0.067126 0.501476
H -0.203438 -1.801325 -1.384440
H 0.072464 1.275524 1.648943
H -3.658653 -1.917774 -1.627188
H -3.239626 -0.705168 -2.836929
H -2.214569 -2.133275 -2.626056
H -1.708983 2.746377 2.061045
H -2.929823 2.965798 0.797712
H -3.226164 1.840831 2.125038
H 3.201213 2.727064 -0.516729
H 3.558132 2.045076 -2.157201
H 3.004335 -2.568962 0.124646
H 4.167413 -1.521363 -0.814526
H 1.319456 3.044207 -2.390926
H 1.020845 1.313163 -2.203032
H 0.761636 2.415873 -0.842112
H 5.344780 -3.586101 0.229267
H 5.980115 -2.047003 0.854921
H 4.857616 -2.986654 1.831097
H -4.956581 0.164553 1.539662
H -5.083838 -1.141850 0.342589
H -6.267450 0.186989 0.336854


%chk=000280817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280817

0 1
S -4.452412 0.866693 -0.713153
P 2.620653 0.257202 0.654938
O 1.264777 -0.831314 0.465684
O 2.992564 0.685093 -0.979688
O 3.805540 -0.888268 1.078003
O 2.474088 1.467509 1.666821
C -2.129768 -0.727992 -1.044131
C -1.966775 1.085467 0.648875
C -2.711153 0.358594 -0.326105
C -0.056472 -0.370653 0.200497
C -0.786344 -1.080974 -0.770240
C -0.627225 0.703955 0.912522
C -2.901623 -1.504847 -2.095880
C -2.565793 2.249777 1.417111
C 3.002474 2.134738 -1.365026
C 4.065288 -2.077066 0.196559
C 1.626250 2.575075 -1.863822
C 5.211274 -2.833579 0.858056
C -5.374094 -0.101224 0.630256
H -0.302863 -1.903317 -1.306304
H -0.038378 1.236779 1.666614
H -3.825229 -1.944089 -1.677254
H -3.220512 -0.848852 -2.925289
H -2.285920 -2.321093 -2.510488
H -1.795435 2.761196 2.018339
H -3.032519 2.980614 0.734257
H -3.363073 1.913274 2.106875
H 3.336791 2.738455 -0.501100
H 3.763131 2.175253 -2.162144
H 3.139696 -2.677522 0.144758
H 4.329787 -1.713357 -0.813401
H 1.682153 3.612707 -2.243925
H 1.280468 1.922429 -2.683653
H 0.877282 2.546868 -1.053030
H 5.456714 -3.732792 0.262672
H 6.111345 -2.199778 0.925003
H 4.930228 -3.152451 1.875686
H -5.054056 0.234660 1.628312
H -5.188065 -1.179746 0.512602
H -6.444694 0.114576 0.486795


