%chk=000268838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268838

0 1
S -2.896748 -0.837583 -0.344937
S -2.232205 2.008161 -0.344586
O 0.973314 -1.195720 1.554035
O -0.414385 -1.429416 -0.277294
O 1.804464 1.424190 -0.582560
O 3.799053 0.283584 -0.556129
C 0.636549 0.144248 1.152449
C -0.403246 -0.016149 0.013495
C 1.925706 0.907020 0.757696
C 0.280791 -2.187119 0.738128
C 3.213856 0.062395 0.744988
C -1.811221 0.410953 0.409329
C 2.805477 0.817181 -1.458269
C -0.700764 -2.926800 1.622407
C 1.314013 -3.044423 0.032905
C 3.448254 1.933088 -2.254858
C 2.174413 -0.295451 -2.270428
C -4.568730 -0.228009 0.085850
C -0.943131 3.136943 0.296681
C -5.513956 -1.365087 -0.241063
C -1.359951 4.527389 -0.131650
H 0.206121 0.603470 2.070783
H -0.069528 0.447240 -0.952869
H 2.025383 1.819653 1.386905
H 3.031022 -1.022678 0.857260
H 3.978138 0.400896 1.461320
H -1.968468 0.445707 1.508224
H -0.197486 -3.639836 2.283829
H -1.436165 -3.471573 1.013110
H -1.268418 -2.231687 2.255106
H 0.850737 -3.907165 -0.460586
H 2.072517 -3.413362 0.732916
H 1.830399 -2.459033 -0.751166
H 4.306152 1.563188 -2.830349
H 2.734610 2.392612 -2.948879
H 3.818992 2.724273 -1.588026
H 1.771844 -1.095597 -1.619634
H 2.905562 -0.760867 -2.941348
H 1.338324 0.070314 -2.879298
H -4.806354 0.678213 -0.502649
H -4.617094 0.050366 1.152898
H 0.041929 2.858218 -0.135798
H -0.868083 3.054203 1.393915
H -5.297276 -2.269158 0.344499
H -5.472766 -1.647173 -1.302911
H -6.553794 -1.082719 -0.026298
H -1.439329 4.618606 -1.224755
H -2.330824 4.821703 0.290704
H -0.624295 5.274789 0.196708


%chk=000268838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268838

0 1
S -2.928369 -1.298453 -0.515092
S -1.857527 1.546640 -0.949692
O 0.964498 -1.040288 1.951189
O -0.083609 -2.076562 0.109740
O 2.044145 1.510906 -0.558358
O 3.721475 0.121771 -1.487672
C 0.813406 -0.018271 0.888670
C -0.213106 -0.618662 -0.113566
C 2.202270 0.314786 0.310285
C 0.298385 -2.310253 1.518211
C 2.876652 -0.720857 -0.615548
C -1.643961 -0.051032 0.077103
C 2.959544 1.365689 -1.741772
C -0.922755 -2.558183 2.414528
C 1.310428 -3.456578 1.546852
C 3.956312 2.522639 -1.765051
C 2.097401 1.247778 -3.005316
C -4.493914 -0.390414 0.069056
C -1.083830 2.881969 0.174601
C -5.725878 -1.197556 -0.365253
C -1.614807 4.256841 -0.259429
H 0.423469 0.894623 1.370500
H 0.078380 -0.452374 -1.163028
H 2.873911 0.566445 1.154498
H 2.141997 -1.301499 -1.204796
H 3.555925 -1.404608 -0.086295
H -1.856909 0.204666 1.131669
H -0.600225 -2.635736 3.467389
H -1.424255 -3.495066 2.118228
H -1.652101 -1.737625 2.323809
H 0.836174 -4.388102 1.193300
H 1.673646 -3.611295 2.576953
H 2.168397 -3.228278 0.894761
H 4.704207 2.359346 -2.560206
H 3.433154 3.474567 -1.958854
H 4.476451 2.588701 -0.795921
H 1.502150 0.319161 -2.989378
H 2.739546 1.238988 -3.903113
H 1.399233 2.099797 -3.068696
H -4.478977 0.616002 -0.380671
H -4.438984 -0.298220 1.168682
H 0.011038 2.816438 0.068961
H -1.378400 2.651964 1.214757
H -5.718237 -2.214409 0.066710
H -5.773533 -1.290077 -1.464730
H -6.647591 -0.690227 -0.025161
H -1.361693 4.468432 -1.314049
H -2.711900 4.318104 -0.150416
H -1.158229 5.050370 0.361411


