%chk=000286931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286931

0 1
S 0.894092 -0.550778 -1.320995
O -0.035869 -0.471384 0.103435
O 0.767468 0.716200 -1.983089
O 0.549905 -1.778448 -1.976480
O 6.207153 1.322182 1.436495
O 4.618443 2.587315 0.684614
N 5.127604 1.502299 0.899509
C -5.669654 0.392225 0.232130
C -4.154386 0.191477 0.144849
C -6.031051 0.805407 1.673586
C -6.364570 -0.936436 -0.129356
C -6.174729 1.484474 -0.729466
C -3.549006 -0.776152 0.970732
C -3.344468 0.933362 -0.725832
C -2.176192 -1.008174 0.928767
C -1.962140 0.728682 -0.785801
C -1.401196 -0.244852 0.043387
C 2.433794 -0.694695 -0.548567
C 3.129551 0.449345 -0.156083
C 2.969916 -1.968404 -0.316568
C 4.374751 0.300359 0.474287
C 4.212742 -2.105730 0.311829
C 4.921773 -0.973307 0.712611
H -7.103178 1.002917 1.773254
H -5.775890 0.028183 2.400284
H -5.498181 1.716078 1.968645
H -6.113017 -1.736583 0.573334
H -7.454016 -0.829832 -0.123109
H -6.071248 -1.276184 -1.128935
H -7.260456 1.607542 -0.647190
H -5.725066 2.458574 -0.509869
H -5.959656 1.236621 -1.774352
H -4.162325 -1.361473 1.657094
H -3.777349 1.693222 -1.377716
H -1.702444 -1.753028 1.562701
H -1.345158 1.327262 -1.461356
H 2.725279 1.459821 -0.336348
H 2.416813 -2.864150 -0.634019
H 4.627398 -3.100104 0.489642
H 5.897364 -1.060234 1.209045


%chk=000286931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286931

0 1
S 0.889724 -1.276328 -1.062047
O -0.105276 -0.583005 0.610371
O 0.657873 -0.229709 -2.289345
O 0.684594 -2.878247 -1.281140
O 6.333401 1.875162 0.410508
O 4.507276 2.687499 -0.690671
N 5.151093 1.747915 -0.088470
C -5.760620 0.505323 0.164147
C -4.242830 0.236388 0.251329
C -6.393374 0.340775 1.580765
C -6.406592 -0.526312 -0.812111
C -6.081503 1.931461 -0.351542
C -3.777544 -1.034745 0.710105
C -3.268885 1.207251 -0.115788
C -2.409966 -1.329078 0.798249
C -1.891843 0.932137 -0.033208
C -1.448196 -0.334350 0.445808
C 2.611850 -1.003438 -0.347171
C 3.191494 0.261924 -0.498377
C 3.236626 -2.083388 0.299185
C 4.484163 0.421854 0.042831
C 4.533337 -1.879777 0.826761
C 5.164000 -0.623845 0.704884
H -7.483361 0.519251 1.526983
H -6.236377 -0.674422 1.986738
H -5.958317 1.063794 2.294554
H -6.247859 -1.566485 -0.476488
H -7.497025 -0.353035 -0.874627
H -5.981103 -0.428530 -1.827315
H -7.176973 2.070550 -0.392888
H -5.671919 2.712085 0.315843
H -5.686700 2.099125 -1.370556
H -4.502685 -1.804514 0.996283
H -3.587160 2.188792 -0.476687
H -2.054639 -2.305174 1.144267
H -1.143921 1.676998 -0.323622
H 2.689475 1.082506 -1.019276
H 2.729690 -3.051019 0.369392
H 5.048148 -2.701691 1.332867
H 6.164725 -0.440098 1.104559


