%chk=000251018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251018

0 1
S -2.941256 1.642630 -1.688113
S 3.154167 1.477510 1.796542
O -1.518799 2.512827 -1.342054
O 1.858251 1.355309 2.866786
O -1.687168 -2.811130 1.958445
O -2.492007 0.391112 -2.260595
O -3.755133 2.523725 -2.477366
O 2.858037 2.567525 0.900460
O 3.387750 0.166013 1.244466
O -2.256130 -0.643052 1.734064
N 0.253416 0.698400 0.064843
C 0.727657 1.742599 -0.882281
C -0.116369 1.185825 1.415537
C 0.130897 -0.620521 -0.309701
C -0.301423 2.091997 -1.968822
C 0.737148 0.530525 2.509550
C 0.858214 -1.021590 -1.556772
C -0.519556 -1.629200 0.363206
C 2.249159 -1.197102 -1.522277
C 0.133275 -1.268235 -2.730160
C 2.915103 -1.617263 -2.675960
C 0.810137 -1.683862 -3.879979
C -1.533522 -1.569191 1.364830
C 2.197641 -1.859312 -3.853175
C -3.572431 1.459203 -0.100912
C 4.370792 1.923548 2.945084
C -2.779703 -2.985386 2.908199
C -4.071212 -3.240454 2.155469
H 0.995233 2.664250 -0.301399
H 1.680392 1.417698 -1.366335
H -0.002857 2.295722 1.459171
H -1.205518 0.987865 1.619090
H 0.039616 2.974196 -2.548455
H -0.475174 1.242735 -2.661111
H 0.177891 0.471987 3.466611
H 1.098974 -0.482366 2.237355
H -0.292496 -2.656930 0.040506
H 2.805368 -1.007191 -0.595254
H -0.957610 -1.129776 -2.739919
H 3.994140 -1.759468 -2.655722
H 0.251981 -1.875285 -4.795275
H 2.720845 -2.187890 -4.749700
H -3.146078 0.584605 0.458486
H -3.375375 2.319099 0.558968
H -4.661048 1.304195 -0.062932
H 5.176024 1.176715 3.043283
H 4.869457 2.877873 2.706820
H 3.971205 2.054748 3.967362
H -2.837806 -2.094980 3.558734
H -2.427923 -3.866496 3.474863
H -4.398605 -2.339646 1.617737
H -3.943786 -4.032031 1.404917
H -4.879385 -3.541379 2.830185


%chk=000251018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251018

0 1
S -3.339292 1.762243 -1.507548
S 3.581607 1.526278 1.725601
O -1.666784 2.473067 -0.947245
O 2.142112 1.499067 2.909898
O -1.876607 -2.862652 1.818280
O -3.044267 0.313003 -2.183767
O -4.162576 2.873901 -2.343968
O 3.383693 2.674682 0.600924
O 3.927411 0.009476 1.260487
O -2.301772 -0.570106 1.643354
N 0.393202 0.685366 0.118677
C 0.665435 1.741113 -0.892351
C 0.066200 1.132956 1.496243
C 0.245813 -0.641049 -0.269645
C -0.546001 2.035203 -1.798819
C 1.032698 0.572896 2.554911
C 0.999398 -1.076913 -1.499370
C -0.475970 -1.649293 0.386038
C 2.415235 -0.981410 -1.563837
C 0.283903 -1.639656 -2.588118
C 3.100408 -1.446859 -2.707635
C 0.974229 -2.092201 -3.734800
C -1.585838 -1.577100 1.311068
C 2.383906 -1.997452 -3.797070
C -4.055315 1.587765 0.233600
C 4.814429 2.124815 3.034266
C -3.121517 -2.997787 2.623085
C -4.322363 -3.288634 1.716071
H 0.983458 2.651248 -0.362456
H 1.503596 1.445343 -1.546602
H 0.103470 2.233631 1.522341
H -0.965174 0.829018 1.758232
H -0.292630 2.839177 -2.516043
H -0.834266 1.121510 -2.357256
H 0.521561 0.471519 3.530255
H 1.440199 -0.413990 2.263346
H -0.236212 -2.670208 0.078405
H 2.973695 -0.580875 -0.709239
H -0.809014 -1.703476 -2.533209
H 4.193897 -1.386638 -2.743977
H 0.413103 -2.515715 -4.574991
H 2.920101 -2.353605 -4.684064
H -3.433538 0.836658 0.748892
H -3.979896 2.590524 0.675696
H -5.098469 1.271033 0.091342
H 4.870678 1.326467 3.784595
H 5.763688 2.284719 2.504809
H 4.393031 3.054117 3.439130
H -3.274825 -2.072181 3.205456
H -2.906322 -3.840810 3.300039
H -4.517391 -2.438671 1.039902
H -4.142667 -4.189735 1.104863
H -5.227047 -3.459079 2.329503


