%chk=000253883.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253883

0 1
S 1.001525 2.516296 -0.475084
S 3.940731 0.283169 -0.506588
O -0.273284 1.829802 0.439029
O 2.727339 -0.326015 0.528262
O 2.212834 2.019007 0.162272
O 0.727041 3.922655 -0.429736
O 3.301083 0.891028 -1.656468
O 4.763477 -0.877687 -0.758095
N -1.418282 -1.030758 -0.249901
N 0.106161 -2.451835 -0.907772
N -1.155649 -2.169940 -0.977980
C -0.211130 -0.567252 0.317582
C 0.755660 -1.496690 -0.103565
C -0.034639 0.631868 1.181660
C 2.198395 -1.625393 0.243348
C -2.768421 -0.538125 -0.088705
C -3.024698 0.838621 -0.022296
C -3.816188 -1.475141 -0.013761
C -4.342336 1.275793 0.137019
C -5.125440 -1.016816 0.138337
C -5.391155 0.355034 0.217583
C 0.690185 1.862652 -2.027228
C 4.750986 1.395323 0.525912
H -0.793007 0.679779 1.992997
H 0.995367 0.645579 1.618249
H 2.317848 -2.189799 1.195890
H 2.776105 -2.148590 -0.551731
H -2.211893 1.571313 -0.089725
H -3.609756 -2.545644 -0.083472
H -4.547924 2.345451 0.195467
H -5.943991 -1.735002 0.195485
H -6.415711 0.704711 0.339552
H 1.598060 1.380302 -2.483385
H -0.065295 1.060385 -2.048596
H 0.362747 2.602772 -2.773869
H 4.042032 1.925261 1.205033
H 5.507400 0.929789 1.174992
H 5.256723 2.211897 -0.012511


%chk=000253883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253883

0 1
S 0.859412 3.123072 -0.226875
S 3.835938 -0.086258 -0.805129
O -0.175063 1.548505 -0.286186
O 2.782260 -0.463361 0.720944
O 2.231913 2.827328 0.592398
O -0.065088 4.366187 0.226856
O 2.992540 0.656067 -1.973431
O 4.644807 -1.441376 -1.165521
N -1.457876 -1.332287 0.076980
N 0.077304 -2.922506 -0.097987
N -1.237578 -2.690183 -0.271637
C -0.260793 -0.732140 0.471474
C 0.697078 -1.758344 0.351601
C -0.108891 0.680820 0.933967
C 2.151791 -1.793776 0.727794
C -2.805320 -0.830100 0.031296
C -3.074394 0.520142 -0.296380
C -3.861665 -1.734629 0.304886
C -4.413571 0.967287 -0.323110
C -5.193237 -1.275443 0.259020
C -5.475728 0.076900 -0.047606
C 1.163960 3.146632 -2.097121
C 4.889467 1.187421 0.118711
H -0.918490 0.984174 1.621833
H 0.879483 0.804040 1.410793
H 2.284611 -2.137806 1.772512
H 2.702497 -2.503583 0.077328
H -2.254795 1.200066 -0.549504
H -3.627476 -2.776418 0.538821
H -4.622972 2.012558 -0.574313
H -6.010510 -1.973706 0.468411
H -6.512018 0.429969 -0.076286
H 1.761821 2.243043 -2.293392
H 0.167037 3.118608 -2.556305
H 1.698656 4.085030 -2.301222
H 4.159941 1.932423 0.473109
H 5.380153 0.638290 0.931952
H 5.597693 1.587155 -0.620479


