%chk=000289711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289711

0 1
S -6.419413 -0.496691 0.041432
O -0.046754 4.766139 0.857698
O 7.011273 0.174899 -0.189801
O -6.497239 0.260248 1.549054
O -6.821601 0.531907 -0.883815
O -7.176095 -1.711121 0.167030
N -0.600677 -1.623977 -0.247120
N 1.293894 -2.849799 -0.507427
C 0.496794 -0.719533 -0.159100
C 1.652244 -1.497840 -0.314307
C -1.997144 -1.330219 -0.172564
C 0.354900 0.712285 0.071129
C 3.052927 -1.088324 -0.300017
C -0.040283 -2.918753 -0.457999
C -2.860027 -2.277501 0.416371
C -2.508156 -0.129990 -0.701409
C 0.852156 1.619203 -0.877304
C -0.248680 1.191770 1.253156
C -4.738964 -0.816205 -0.043942
C -4.226705 -2.012019 0.475133
C -3.876884 0.120531 -0.628766
C 3.474352 0.004524 0.486291
C 3.996800 -1.797502 -1.061946
C 0.745246 2.996240 -0.669909
C -0.364900 2.555403 1.478536
C 0.136916 3.451005 0.507474
C 4.806240 0.396331 0.496143
C 5.341917 -1.420488 -1.067389
C 5.731629 -0.324459 -0.288139
C 0.446401 5.786918 -0.045069
C 8.060135 -0.500696 -0.924625
H -0.643287 -3.807314 -0.576382
H -2.468055 -3.202054 0.840267
H -1.841671 0.599845 -1.167647
H 1.333404 1.244144 -1.783363
H -0.622480 0.482834 1.993898
H -4.901831 -2.748809 0.930230
H -4.278040 1.054569 -1.044063
H 2.748841 0.545147 1.097344
H 3.674334 -2.658244 -1.653979
H 1.136433 3.685947 -1.410763
H -0.826027 2.950340 2.382010
H 5.150837 1.235747 1.095144
H 6.055826 -1.978640 -1.662744
H -7.263322 0.828926 1.706878
H -0.070158 5.725403 -1.006950
H 1.531607 5.705442 -0.155158
H 0.173705 6.706816 0.489799
H 7.866366 -0.446517 -1.999525
H 8.161761 -1.533557 -0.579099
H 8.942560 0.093190 -0.652898


%chk=000289711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289711

0 1
S -6.555368 -0.642614 -0.001709
O -0.248636 4.936865 0.985586
O 7.241598 -0.007392 -0.297351
O -6.562770 0.363229 1.562331
O -7.024598 0.306296 -1.225321
O -7.304080 -2.047438 0.289026
N -0.556092 -1.544148 -0.233311
N 1.327084 -2.737230 -0.645635
C 0.525076 -0.615942 -0.167673
C 1.684404 -1.386190 -0.403950
C -1.961141 -1.292653 -0.158670
C 0.332733 0.822039 0.113996
C 3.111318 -1.011935 -0.380602
C 0.000976 -2.800144 -0.525686
C -2.782792 -2.213829 0.543037
C -2.537120 -0.172344 -0.813201
C 0.859957 1.801640 -0.766822
C -0.376535 1.268496 1.267234
C -4.707266 -0.897114 -0.053908
C -4.177384 -2.022995 0.595856
C -3.928065 0.038325 -0.754008
C 3.604513 0.149276 0.282848
C 4.051714 -1.867239 -1.013363
C 0.697349 3.181253 -0.517084
C -0.553933 2.637366 1.525391
C -0.017006 3.602036 0.633902
C 4.976046 0.450260 0.290886
C 5.431393 -1.575560 -1.015897
C 5.897323 -0.406550 -0.363522
C 0.294399 5.978132 0.107445
C 8.235404 -0.871105 -0.939184
H -0.612242 -3.683830 -0.684692
H -2.327819 -3.061905 1.063839
H -1.902522 0.522309 -1.367946
H 1.410804 1.477155 -1.656378
H -0.778264 0.534267 1.974117
H -4.830845 -2.724932 1.122505
H -4.396171 0.888494 -1.259261
H 2.914775 0.813402 0.811145
H 3.680649 -2.775538 -1.498037
H 1.122606 3.906376 -1.216968
H -1.095858 2.984561 2.409937
H 5.359686 1.335972 0.806404
H 6.123511 -2.258423 -1.517768
H -7.513583 0.610501 1.757417
H -0.141096 5.914536 -0.908541
H 1.397996 5.915701 0.045237
H 0.002295 6.928484 0.576966
H 8.053111 -0.954749 -2.028430
H 8.243222 -1.881841 -0.486624
H 9.202347 -0.377831 -0.761768


