%chk=000253422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253422

0 1
S 3.430739 -0.480826 -1.349647
S -2.742908 -0.729317 2.425749
O 1.868814 -0.129727 -0.791186
O -1.116873 -0.267647 2.510059
O 4.211929 0.705419 -1.117002
O 3.247950 -0.977650 -2.691899
O -3.499203 0.414117 2.880052
O -2.769661 -1.983429 3.129294
N -0.630292 1.643594 0.065913
C -0.344031 0.660369 -1.011785
C 0.150399 1.369255 1.308793
C -0.823606 3.007294 -0.309680
C 1.069186 0.749885 -1.608775
C -0.798764 1.134375 2.492747
C -0.822190 4.023878 0.673529
C -1.140514 3.350550 -1.644278
C -1.136251 5.335960 0.322608
C -1.452053 4.669355 -1.973338
C 3.836784 -1.733347 -0.250115
C -3.004678 -0.985348 0.743084
C -1.451540 5.670214 -0.998127
C 3.542937 -3.064417 -0.569476
C -2.764742 -2.245833 0.183578
C 4.457352 -1.420632 0.965240
C -3.472123 0.062781 -0.056515
C 3.865804 -4.083665 0.330052
C -2.988223 -2.457308 -1.178957
C 4.779584 -2.440184 1.864900
C -3.700319 -0.150171 -1.420728
C 4.480968 -3.770143 1.547641
C -3.458985 -1.408825 -1.979239
H -0.491810 -0.363155 -0.581611
H -1.107455 0.770291 -1.815829
H 0.782660 0.453263 1.170728
H 0.863754 2.188898 1.544712
H 1.092578 0.390538 -2.655914
H 1.497583 1.768438 -1.546057
H -0.282749 1.311477 3.457178
H -1.712368 1.759863 2.448245
H -0.589284 3.798173 1.709990
H -1.151624 2.594432 -2.424289
H -1.135292 6.109989 1.090619
H -1.695406 4.920213 -3.005865
H -1.692629 6.695563 -1.262217
H 3.066847 -3.310057 -1.525402
H -2.410660 -3.069371 0.814414
H 4.697495 -0.379798 1.210670
H -3.658946 1.052041 0.379627
H 3.637546 -5.120297 0.084324
H -2.803714 -3.437423 -1.616253
H 5.260550 -2.198949 2.812527
H -4.071293 0.664779 -2.041267
H 4.728943 -4.566054 2.252361
H -3.640517 -1.577132 -3.041884


%chk=000253422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253422

0 1
S 3.874472 -0.626913 -1.576767
S -3.296621 -0.552453 2.196140
O 2.240645 -0.207631 -0.726370
O -1.388807 -0.600255 1.992709
O 4.774151 0.709016 -1.742891
O 3.510012 -1.540440 -2.868774
O -3.662446 0.899103 2.832993
O -3.742554 -1.934368 2.904840
N -0.196178 1.368128 0.153354
C -0.111834 0.303610 -0.851148
C 0.340971 1.050479 1.481388
C -0.688630 2.649005 -0.166927
C 1.205810 0.278622 -1.663798
C -0.718999 0.596767 2.518937
C -0.896676 3.636546 0.847542
C -1.006171 3.012523 -1.515097
C -1.396072 4.914057 0.524571
C -1.510581 4.293218 -1.820352
C 4.560016 -1.688531 -0.188916
C -3.821578 -0.585408 0.390101
C -1.712900 5.260113 -0.809079
C 4.196319 -3.044282 -0.159487
C -4.188208 -1.824540 -0.159199
C 5.416055 -1.075285 0.739370
C -3.835965 0.630834 -0.312189
C 4.731618 -3.836145 0.882105
C -4.593807 -1.838369 -1.514024
C 5.938505 -1.886980 1.772921
C -4.241741 0.590966 -1.666170
C 5.593987 -3.257539 1.843938
C -4.616655 -0.637177 -2.262265
H -0.229954 -0.668950 -0.342853
H -0.950159 0.390479 -1.566344
H 1.093084 0.252700 1.359029
H 0.873191 1.925201 1.904286
H 1.109613 -0.428086 -2.512674
H 1.468265 1.286872 -2.034624
H -0.230750 0.344526 3.481145
H -1.468471 1.394269 2.701092
H -0.682464 3.409961 1.895778
H -0.838292 2.309942 -2.336872
H -1.545613 5.642760 1.329672
H -1.731777 4.540177 -2.865579
H -2.099958 6.254396 -1.053162
H 3.537749 -3.464789 -0.925719
H -4.169921 -2.732942 0.451211
H 5.672412 -0.015176 0.647141
H -3.551900 1.571945 0.169603
H 4.473810 -4.898331 0.940838
H -4.892158 -2.783744 -1.978530
H 6.611213 -1.448343 2.516782
H -4.264067 1.520574 -2.243895
H 6.003160 -3.878320 2.648074
H -4.933454 -0.657497 -3.310554


