%chk=000246517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246517

0 1
S 0.117758 1.263464 -0.058786
O -0.163713 -0.831515 -2.195237
O -0.197905 -0.874943 1.764402
C -2.751792 1.655043 1.335935
C 3.150899 1.335701 -1.104961
C -2.548078 0.543238 0.289397
C 2.701410 0.227030 -0.135937
C -1.329778 0.336429 -0.389823
C 1.389971 0.124249 0.360718
C -4.250417 1.856832 1.666513
C -2.227265 3.003569 0.803507
C -2.030306 1.248138 2.631753
C 4.691950 1.411972 -1.205001
C 2.662238 2.718365 -0.635581
C 2.599841 0.994990 -2.503258
C -3.621983 -0.301323 -0.027438
C 3.629965 -0.748739 0.264100
C -1.264637 -0.620810 -1.420072
C 1.082626 -0.892121 1.281261
C -3.529818 -1.298177 -1.016031
C 3.301103 -1.782298 1.155947
C -2.348927 -1.455253 -1.739320
C 2.009391 -1.859751 1.687227
C -4.711671 -2.168743 -1.298830
C 4.333764 -2.795720 1.527871
H -4.709664 0.945594 2.063818
H -4.816729 2.165319 0.781455
H -4.377718 2.635447 2.425996
H -1.166449 3.158586 1.034855
H -2.756961 3.847980 1.257634
H -2.352738 3.088612 -0.280751
H -0.958268 1.068966 2.458516
H -2.112226 2.027715 3.393998
H -2.443345 0.323025 3.043939
H 5.131907 0.470311 -1.551347
H 4.998201 2.186961 -1.916215
H 5.141469 1.659764 -0.237027
H 1.681296 2.982958 -1.050308
H 3.341246 3.517048 -0.955184
H 2.592783 2.777411 0.456514
H 1.501502 0.897334 -2.503702
H 3.021498 0.057762 -2.883618
H 2.842143 1.783082 -3.225014
H -4.568360 -0.201313 0.500852
H 4.645945 -0.722762 -0.128821
H -2.242651 -2.189239 -2.531646
H 1.735423 -2.640018 2.386071
H -4.474379 -2.997637 -1.978667
H -5.117407 -2.610694 -0.378355
H -5.521290 -1.589097 -1.766372
H 5.276464 -2.321159 1.835456
H 4.016421 -3.445514 2.353735
H 4.564059 -3.450056 0.673272
H 0.583430 -0.165844 -2.035948
H -0.387430 -1.649369 2.354011


%chk=000246517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246517

0 1
S 0.128190 1.247266 0.203273
O 0.000607 -1.248292 -1.690718
O 0.027950 -1.065929 2.033335
C -2.956761 1.732593 1.272491
C 3.199030 1.335639 -1.084466
C -2.676271 0.563528 0.278605
C 2.810817 0.178674 -0.114474
C -1.374506 0.221594 -0.220034
C 1.505388 0.023703 0.473938
C -4.470671 1.871337 1.603755
C -2.524004 3.096021 0.647136
C -2.225735 1.491123 2.628326
C 4.683982 1.243906 -1.538939
C 3.041246 2.710694 -0.363548
C 2.332740 1.296358 -2.381523
C -3.768576 -0.206097 -0.199915
C 3.793090 -0.785225 0.236482
C -1.225983 -0.854597 -1.141461
C 1.283213 -1.020350 1.417286
C -3.630137 -1.276264 -1.119076
C 3.555001 -1.860599 1.126697
C -2.342941 -1.598977 -1.580419
C 2.285429 -1.965445 1.727304
C -4.850218 -2.042959 -1.600719
C 4.647066 -2.872213 1.423832
H -4.876470 0.961776 2.083456
H -5.076500 2.100408 0.707554
H -4.599777 2.706979 2.315893
H -1.436780 3.162472 0.478768
H -2.803695 3.921637 1.329036
H -3.032867 3.259870 -0.320844
H -1.140588 1.363125 2.500622
H -2.404068 2.350239 3.303428
H -2.620633 0.580417 3.115461
H 4.893342 0.314208 -2.099593
H 4.895963 2.091495 -2.215475
H 5.387401 1.314671 -0.688840
H 1.999095 2.918241 -0.071866
H 3.365222 3.521479 -1.043014
H 3.669933 2.749815 0.545210
H 1.261787 1.445180 -2.174126
H 2.457580 0.332871 -2.909775
H 2.662288 2.102643 -3.063489
H -4.775903 0.030645 0.150506
H 4.790483 -0.704292 -0.200746
H -2.167254 -2.416180 -2.287159
H 2.074632 -2.771749 2.442611
H -4.563326 -2.933252 -2.186090
H -5.476897 -2.379341 -0.753799
H -5.489632 -1.410259 -2.246101
H 5.600209 -2.372070 1.674734
H 4.376190 -3.530552 2.267037
H 4.839898 -3.517271 0.545394
H 0.765012 -0.835922 -1.200771
H -0.059795 -1.871973 2.600313


