%chk=000208901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208901

0 1
S 5.556970 -2.639972 2.122288
O -5.134681 -1.217692 -1.309069
O 0.505293 2.138537 -0.620085
O 6.082428 -1.198840 1.356714
O -6.909297 -0.354606 1.551749
O -6.880722 -2.415841 0.695581
O 5.136388 -2.277167 3.441772
O 4.649860 -3.290192 1.219306
C -4.916933 0.679891 0.043837
C -5.067964 -0.846968 0.070475
C -3.475878 1.084290 -0.080719
C 2.651778 2.999628 -0.251861
C 1.254850 2.921141 0.363708
C -2.745591 0.706503 -1.227080
C -2.853962 1.837976 0.918521
C 3.545011 1.876476 0.195539
C -0.810423 1.839330 -0.350138
C -1.416740 1.075738 -1.372465
C -1.513590 2.225932 0.795144
C -6.358098 -1.328357 0.753305
C 4.774856 2.145749 0.814244
C 3.148073 0.545208 -0.021462
C -4.907394 -2.634830 -1.589246
C 5.182991 -0.216704 0.994003
C 5.605268 1.100602 1.222050
C 3.962420 -0.514662 0.372903
C -4.927419 -2.697345 -3.104005
C 7.108390 -3.410318 2.133213
H -5.496958 1.082469 -0.819290
H -5.387966 1.125975 0.947004
H -4.208310 -1.347064 0.579329
H 2.553734 2.966456 -1.364439
H 3.101200 3.987254 -0.026556
H 1.236375 2.389785 1.330494
H 0.776287 3.910607 0.451441
H -3.243049 0.108658 -1.997460
H -3.409446 2.133269 1.808664
H -0.835175 0.795740 -2.247208
H -1.049689 2.809947 1.581484
H 5.090245 3.174302 0.984128
H 2.185999 0.346152 -0.503919
H -5.728245 -3.214911 -1.124602
H -3.936124 -2.931465 -1.160127
H 6.561078 1.288105 1.704522
H 3.655601 -1.549141 0.191762
H -5.862121 -2.276339 -3.501810
H -4.107145 -2.114686 -3.542557
H -4.843316 -3.730162 -3.460380
H -7.742315 -0.656754 2.005440
H 7.130786 -4.358070 1.570524
H 7.474366 -3.645857 3.145932
H 7.900305 -2.786477 1.677802


%chk=000208901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208901

0 1
S 5.396690 -2.808980 2.005416
O -4.767097 -1.432530 -1.149808
O 0.532298 2.360390 -0.565990
O 5.934505 -1.376235 0.671514
O -7.000680 -0.367289 1.587794
O -7.478202 -1.691161 -0.262726
O 5.525709 -2.257166 3.529853
O 4.042901 -3.579135 1.538992
C -5.029469 0.832551 -0.329024
C -5.202912 -0.677610 0.008488
C -3.571131 1.258236 -0.376658
C 2.646062 3.309626 0.165533
C 1.162534 3.116531 0.529630
C -2.739058 0.914169 -1.477310
C -2.999063 1.998334 0.684820
C 3.501095 2.058942 0.307284
C -0.830594 2.030800 -0.434672
C -1.385806 1.294970 -1.510764
C -1.639218 2.388188 0.670650
C -6.664632 -0.992846 0.373422
C 4.547576 2.009812 1.269327
C 3.267501 0.915872 -0.509930
C -4.568894 -2.877871 -0.899659
C 5.107218 -0.270005 0.587244
C 5.342535 0.858292 1.421916
C 4.050575 -0.242652 -0.367620
C -3.950623 -3.469381 -2.164569
C 6.916982 -3.863817 1.573552
H -5.523586 1.000501 -1.304384
H -5.572479 1.417659 0.433472
H -4.586220 -0.919938 0.902991
H 2.682136 3.688523 -0.874306
H 3.048630 4.109142 0.815469
H 1.055052 2.561597 1.483496
H 0.663644 4.103061 0.625911
H -3.161922 0.332371 -2.302171
H -3.622366 2.280225 1.542614
H -0.742765 1.034026 -2.357296
H -1.235376 2.960430 1.510896
H 4.736247 2.883291 1.904978
H 2.454248 0.946176 -1.240860
H -5.546277 -3.349230 -0.674962
H -3.894192 -3.007768 -0.025092
H 6.145493 0.809181 2.164225
H 3.874264 -1.130223 -0.983751
H -4.620251 -3.313381 -3.027657
H -2.979725 -2.992056 -2.382899
H -3.788290 -4.555446 -2.039381
H -7.948752 -0.571535 1.813273
H 6.830289 -4.087744 0.502866
H 6.858789 -4.760923 2.205170
H 7.788607 -3.236671 1.799096


