%chk=000182154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182154

0 1
S -4.547686 -0.441844 0.546857
O 3.677260 0.417875 -0.291687
O 5.931944 -3.146397 -0.513695
O 2.075342 -0.645613 0.782539
O 6.738072 -0.778936 -1.948180
O 4.003144 -2.716103 1.650765
O 5.526873 2.579965 -1.814404
O 4.146358 1.308063 -3.051743
O -5.207407 -0.896429 1.755098
O -4.695227 -1.209840 -0.676379
O 1.875848 0.818152 2.503788
N -5.025481 1.190214 0.308905
C 5.455631 -1.866748 -0.145320
C 5.461606 -0.893331 -1.348008
C 4.035703 -1.941251 0.463907
C 4.993116 0.501521 -0.857918
C 3.504726 -0.523138 0.796533
C 4.789626 1.445609 -2.046515
C -6.417826 1.534081 0.701461
C -4.473064 1.908189 -0.868581
C 1.333403 0.154875 1.658003
C -2.835394 -0.270796 0.862037
C -7.530564 1.133154 -0.282259
C -4.899062 1.360414 -2.241319
C -0.112792 -0.015163 1.362807
C -2.403801 0.178144 2.111504
C -1.916039 -0.603004 -0.134678
C -1.035197 0.311514 2.367880
C -0.545130 -0.474588 0.111488
C -7.802361 -0.365253 -0.321139
C -4.235572 2.136599 -3.372073
H 6.206801 -1.562452 0.626067
H 4.817340 -1.252218 -2.190688
H 3.310428 -2.475319 -0.201571
H 5.690726 0.951636 -0.113609
H 3.876543 -0.075479 1.738800
H 5.375913 -3.557102 -1.216231
H 7.464929 -0.828111 -1.287418
H 4.819716 -2.605377 2.186838
H -6.610609 1.067119 1.700136
H -6.454159 2.636390 0.863867
H -4.765919 2.980898 -0.788712
H -3.361767 1.895015 -0.780064
H -8.457323 1.669618 0.005421
H -7.280078 1.492365 -1.306440
H -4.657877 0.277069 -2.325811
H -6.007498 1.411264 -2.337560
H -3.129482 0.420410 2.896023
H -2.264352 -0.974907 -1.106967
H -0.683791 0.668762 3.339470
H 0.188182 -0.730955 -0.659148
H 5.457385 3.245468 -2.554013
H -8.755182 -0.585323 -0.814546
H -7.846845 -0.803795 0.684915
H -7.023795 -0.912928 -0.875206
H -3.142404 2.066591 -3.329663
H -4.500363 3.199850 -3.350940
H -4.545270 1.744075 -4.348923


%chk=000182154-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182154

0 1
S -4.745977 -0.420196 0.750390
O 3.862314 0.453174 -0.468246
O 6.236939 -3.030274 -0.755066
O 2.076587 -0.725838 0.420293
O 7.469436 -0.307523 -0.938796
O 3.806446 -2.990107 0.937781
O 5.818336 3.031102 -0.733432
O 5.423195 1.829925 -2.686406
O -5.398886 -0.512841 2.241036
O -5.004364 -1.605345 -0.351467
O 1.926318 0.612707 2.339764
N -5.132400 1.285961 0.149909
C 5.636927 -1.793796 -0.205047
C 6.035739 -0.566904 -1.042731
C 4.110767 -1.957965 -0.045486
C 5.323323 0.689376 -0.499751
C 3.518198 -0.635375 0.462211
C 5.519775 1.874342 -1.444385
C -6.352651 1.892438 0.736480
C -4.680755 1.576043 -1.232379
C 1.363547 -0.018127 1.420452
C -2.863701 -0.287189 0.932186
C -7.718628 1.658430 0.043131
C -5.404067 0.906107 -2.432377
C -0.107991 -0.140760 1.223691
C -2.353070 0.434466 2.024766
C -2.062710 -0.957471 -0.005609
C -0.953466 0.505949 2.164904
C -0.661518 -0.877120 0.145107
C -8.163297 0.180794 0.008813
C -4.722414 1.303433 -3.759960
H 6.101114 -1.716789 0.795250
H 5.728006 -0.711108 -2.102519
H 3.652357 -2.189354 -1.033364
H 5.709536 0.941298 0.506860
H 3.861084 -0.395203 1.489478
H 5.874895 -3.185931 -1.667839
H 7.954417 -1.147688 -1.145549
H 4.397131 -3.767580 0.756859
H -6.406445 1.527790 1.780239
H -6.137496 2.980107 0.781179
H -4.745630 2.679964 -1.326318
H -3.600748 1.327457 -1.289957
H -8.461673 2.252180 0.614418
H -7.706770 2.084190 -0.978624
H -5.378140 -0.190632 -2.301663
H -6.467061 1.205366 -2.455075
H -3.026920 0.910528 2.743190
H -2.529201 -1.537030 -0.808640
H -0.497174 1.055663 2.994064
H 0.004846 -1.379505 -0.559923
H 5.935340 3.794553 -1.362629
H -9.168847 0.083957 -0.439401
H -8.199643 -0.242672 1.029257
H -7.470012 -0.446602 -0.580523
H -3.662172 0.986247 -3.776410
H -4.748546 2.398652 -3.918995
H -5.226901 0.827225 -4.619441


