%chk=000290759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290759

0 1
S 1.055282 0.545304 -1.159685
S -3.738053 0.294026 0.433767
O -0.563966 -1.255218 -2.799398
O -0.196880 -2.385047 -0.891411
O -3.866691 -1.747025 2.077210
O -5.658977 -2.823655 2.622271
N -2.465688 -0.815688 0.030857
N -5.010922 -2.111713 1.870910
C 2.506781 0.645363 -0.000722
C 2.934302 2.095800 0.113263
C 3.514596 -0.162148 -0.800573
C 2.119256 0.038783 1.325878
C -0.475583 0.736620 -0.197112
C -1.460541 -0.229872 -0.867789
C 4.304674 2.406732 0.167106
C 3.763679 0.192259 -2.139764
C 1.569556 -1.255952 1.372817
C 1.998671 3.136774 0.204019
C 4.214917 -1.238158 -0.236541
C 2.291720 0.745146 2.525819
C 4.727969 3.732119 0.285431
C 4.666766 -0.547149 -2.906677
C 1.185699 -1.818949 2.590205
C 2.426175 4.463384 0.320885
C 5.122390 -1.970965 -1.007541
C 1.908123 0.176665 3.744947
C 3.789590 4.766100 0.359097
C 5.345145 -1.633630 -2.344976
C 1.351215 -1.103509 3.781291
C -0.657930 -1.414705 -1.438895
C -5.175867 -0.582464 -0.111479
C -5.682321 -1.656756 0.630848
C -5.844064 -0.143328 -1.253053
C -6.858639 -2.308447 0.227025
C -7.020068 -0.789253 -1.655952
C -7.521776 -1.869618 -0.921214
H -0.835782 1.780473 -0.242891
H -0.316677 0.500712 0.874523
H -1.981410 0.287503 -1.727790
H 5.049259 1.610563 0.115317
H 3.268491 1.055903 -2.589479
H 1.433644 -1.836336 0.450972
H 0.929516 2.934391 0.186682
H 4.063307 -1.512491 0.808548
H 2.730710 1.744059 2.524466
H 5.792536 3.958805 0.319971
H 4.844772 -0.272595 -3.945255
H 0.753744 -2.819857 2.608686
H 1.689799 5.263232 0.381795
H 5.655392 -2.808898 -0.560575
H 2.046455 0.737425 4.668022
H -2.076735 -1.312009 0.846673
H 4.119279 5.799297 0.446908
H 6.046071 -2.210022 -2.945386
H 1.047702 -1.543597 4.729608
H -0.013479 -1.962275 -3.232590
H -5.451966 0.692804 -1.836632
H -7.246253 -3.146857 0.816284
H -7.543732 -0.450964 -2.551982
H -8.434482 -2.372787 -1.243942


%chk=000290759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290759

0 1
S 0.744606 1.016850 -1.142954
S -4.697631 1.040790 0.281557
O -2.066012 -0.688795 -2.280302
O -1.773254 -1.617108 -0.169191
O -3.986341 -0.903550 2.404651
O -4.783594 -3.019483 2.594301
N -2.958491 1.038393 0.683789
N -4.584167 -1.938790 1.914855
C 2.401427 0.731131 -0.074181
C 3.078600 2.081162 0.252183
C 3.283086 -0.055844 -1.071149
C 2.021917 -0.057767 1.188261
C -0.610402 1.319146 0.150226
C -1.978958 0.854035 -0.405560
C 4.464897 2.081284 0.568596
C 3.561627 0.525800 -2.338942
C 1.327488 -1.294189 1.070236
C 2.380095 3.310655 0.308451
C 3.884690 -1.298272 -0.753000
C 2.313763 0.424563 2.490025
C 5.127898 3.273260 0.930362
C 4.390281 -0.129863 -3.271303
C 0.941527 -2.024071 2.211648
C 3.041421 4.507485 0.668901
C 4.725793 -1.952054 -1.684052
C 1.935070 -0.312069 3.637304
C 4.418181 4.495328 0.984009
C 4.977700 -1.376481 -2.948392
C 1.248982 -1.538713 3.505510
C -1.901574 -0.606733 -0.896068
C -5.161501 -0.693472 -0.246406
C -5.092018 -1.892425 0.521148
C -5.737658 -0.775885 -1.540301
C -5.551549 -3.125751 -0.003385
C -6.218588 -1.996442 -2.059407
C -6.112684 -3.179886 -1.291383
H -0.679652 2.388084 0.403421
H -0.349092 0.736381 1.049720
H -2.280095 1.483467 -1.258664
H 5.027421 1.142321 0.524203
H 3.128985 1.501684 -2.588299
H 1.053331 -1.661637 0.076052
H 1.320945 3.339557 0.037797
H 3.705540 -1.756720 0.223884
H 2.837069 1.376813 2.614376
H 6.197893 3.247784 1.165837
H 4.584622 0.333201 -4.245290
H 0.382113 -2.957292 2.089439
H 2.479850 5.448156 0.697298
H 5.184770 -2.910441 -1.415728
H 2.169968 0.082208 4.632412
H -2.789490 0.456829 1.521474
H 4.932243 5.423072 1.259040
H 5.627084 -1.885778 -3.669287
H 0.942175 -2.100725 4.394502
H -1.988657 -1.638635 -2.571543
H -5.787324 0.134625 -2.145968
H -5.464180 -4.017272 0.623007
H -6.656526 -2.024096 -3.062708
H -6.464923 -4.135520 -1.692215


