%chk=000299298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299298

0 1
S 0.092205 2.785582 1.217869
O -1.455383 -1.114380 -1.376635
O -0.845276 -3.573833 0.700011
O 0.538194 -3.893283 -1.067363
O 2.327479 3.011719 0.873439
N 1.701532 1.131315 -0.209000
C 0.401106 -1.703193 0.047014
C 1.791492 -1.368738 -0.520753
C 1.924397 0.013969 -1.168270
C -0.714131 0.542264 0.170335
C 0.407885 1.328095 0.295408
C -0.705862 -0.773116 -0.495484
C -1.867122 1.144606 0.816735
C 0.069234 -3.158351 -0.231895
C 2.692468 2.070549 0.177305
C -1.578049 2.336871 1.416351
C -3.200484 0.519702 0.851156
C 4.087252 1.846513 -0.292671
C -3.833536 0.109294 -0.332237
C -3.856649 0.357563 2.083520
C -1.428103 -4.910823 0.546812
C 4.609053 2.667077 -1.301410
C 4.879900 0.860134 0.309844
C -5.111898 -0.452560 -0.281913
C -5.132899 -0.208076 2.127043
C -5.763464 -0.611177 0.945097
C 5.931313 2.487011 -1.717453
C 6.201704 0.690275 -0.109957
C -2.480997 -4.875736 -0.539006
C 6.725725 1.500523 -1.123608
H 0.416401 -1.564860 1.165236
H 2.061855 -2.130435 -1.294558
H 2.544040 -1.485152 0.284924
H 2.938126 0.114004 -1.621986
H 1.197316 0.120963 -2.011779
H -2.255728 2.972898 1.958683
H -3.316705 0.215161 -1.290130
H -3.365823 0.668588 3.004308
H -0.614477 -5.626466 0.335623
H -1.845135 -5.068232 1.558211
H 3.990876 3.445084 -1.752044
H 4.471236 0.237027 1.105648
H -5.598408 -0.769143 -1.202987
H -5.637185 -0.334813 3.082981
H -6.758900 -1.048738 0.981051
H 6.344046 3.121303 -2.502061
H 6.825982 -0.071968 0.356099
H -3.070407 -5.798634 -0.562960
H -3.175365 -4.034543 -0.396578
H -2.028166 -4.741774 -1.533350
H 7.757836 1.365033 -1.448516


%chk=000299298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299298

0 1
S -0.116698 2.888160 1.286524
O -1.664505 -1.359779 -1.062306
O -0.278857 -3.475254 0.865937
O 0.706408 -3.822399 -1.223403
O 2.538612 2.939399 1.085028
N 1.617768 1.188903 -0.164371
C 0.623090 -1.554488 -0.226207
C 1.657301 -1.118219 -1.292638
C 1.699889 0.411400 -1.450823
C -0.807761 0.566405 0.133103
C 0.317548 1.389414 0.361770
C -0.715012 -0.799132 -0.443402
C -2.050852 1.134785 0.673104
C 0.375131 -3.061417 -0.287247
C 2.716230 1.969924 0.286010
C -1.823451 2.336156 1.321884
C -3.414239 0.525956 0.684927
C 4.094701 1.634266 -0.207538
C -4.086206 0.131469 -0.502842
C -4.103543 0.412870 1.924374
C -0.762233 -4.893870 0.892257
C 4.919462 2.705727 -0.640152
C 4.638399 0.326321 -0.124721
C -5.408672 -0.358032 -0.449304
C -5.424994 -0.082131 1.977836
C -6.084284 -0.468800 0.788634
C 6.252695 2.463450 -1.030426
C 5.979867 0.089764 -0.496965
C -2.124845 -4.997481 0.202593
C 6.785708 1.153972 -0.962933
H 0.995340 -1.301655 0.783729
H 1.384577 -1.570548 -2.263302
H 2.648695 -1.521998 -1.023140
H 2.622094 0.715564 -1.969208
H 0.841416 0.745845 -2.062599
H -2.558070 2.953505 1.837154
H -3.570255 0.205653 -1.462571
H -3.587863 0.697579 2.848910
H -0.005792 -5.529884 0.399288
H -0.817201 -5.127383 1.967381
H 4.507036 3.719875 -0.655824
H 4.032303 -0.494350 0.272403
H -5.911093 -0.655350 -1.376500
H -5.934898 -0.169169 2.943960
H -7.109888 -0.853332 0.825565
H 6.878177 3.293465 -1.375763
H 6.396123 -0.919965 -0.414859
H -2.503972 -6.033456 0.282525
H -2.856062 -4.318403 0.672518
H -2.043240 -4.736111 -0.865231
H 7.824418 0.967880 -1.257037


