%chk=000260289.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260289

0 1
S -4.092411 0.793698 -1.223151
O -3.296036 -2.027548 -0.294903
O 4.889727 -0.476680 1.549136
N 0.145630 -0.806320 -0.041230
N 2.992481 -0.385138 -0.373894
C 1.058735 -0.711932 1.145833
C 0.893632 -1.394727 -1.201374
C 2.257629 0.192437 0.799887
C 2.082360 -0.479197 -1.559724
C -1.071264 -1.614223 0.279739
C -2.235152 -1.098632 -0.598136
C 4.266596 0.234786 -0.621134
C -2.655085 0.320556 -0.227575
C 5.301250 0.107395 0.365156
C 4.604458 0.862402 -1.825237
C 6.594777 0.564960 0.126492
C 5.910529 1.316894 -2.069262
C 6.898551 1.167549 -1.104323
C -5.481015 0.665764 -0.143329
C 5.889674 -0.703511 2.570753
C -6.523431 1.567956 -0.377679
C -5.571197 -0.305589 0.853974
C -7.680306 1.486350 0.403639
C -6.729368 -0.372023 1.635671
C -7.783042 0.520123 1.410887
H 0.493791 -0.258779 1.988094
H 1.428455 -1.704807 1.485202
H 1.264173 -2.424070 -0.997824
H 0.205524 -1.456043 -2.070918
H 1.909917 1.229534 0.602914
H 2.949323 0.229485 1.674615
H 2.644255 -0.932030 -2.405819
H 1.703843 0.513250 -1.890350
H -1.346538 -1.506086 1.350804
H -0.952524 -2.707688 0.114972
H -1.994134 -1.181881 -1.681890
H -1.828872 1.032029 -0.449231
H -2.858151 0.420970 0.854192
H 3.854149 1.012282 -2.599501
H -4.033166 -1.929444 -0.936228
H 7.376205 0.459191 0.872297
H 6.139166 1.790489 -3.021563
H 7.911792 1.517080 -1.292138
H 6.296593 0.247298 2.925439
H 5.298508 -1.197335 3.352635
H 6.672813 -1.369974 2.197632
H -6.442444 2.329017 -1.154108
H -4.755366 -1.016759 1.025679
H -8.501014 2.180324 0.229346
H -6.809986 -1.124932 2.418306
H -8.683634 0.463131 2.019326


%chk=000260289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260289

0 1
S -4.290440 0.439473 -1.529981
O -3.287430 -2.337562 -0.401107
O 4.857026 -0.472795 1.623830
N 0.138088 -0.868717 -0.078755
N 2.939414 -0.183850 -0.391772
C 1.034532 -0.745553 1.100731
C 0.921277 -1.327089 -1.253441
C 2.173658 0.241523 0.808502
C 2.067722 -0.349674 -1.570997
C -1.048226 -1.717206 0.187577
C -2.232555 -1.367350 -0.735409
C 4.256154 0.308681 -0.586929
C -2.708002 0.081659 -0.527580
C 5.263313 0.169849 0.433361
C 4.661915 0.898957 -1.816530
C 6.580269 0.628614 0.218987
C 5.987737 1.335315 -2.037506
C 6.950299 1.210596 -1.017353
C -5.580368 0.562013 -0.210094
C 5.878780 -0.729679 2.639064
C -6.574694 1.556354 -0.376492
C -5.626260 -0.315614 0.900518
C -7.621372 1.667490 0.567004
C -6.667153 -0.182548 1.848252
C -7.668927 0.802494 1.684853
H 0.442651 -0.372336 1.956940
H 1.478499 -1.732078 1.384638
H 1.354803 -2.343500 -1.074295
H 0.258261 -1.392001 -2.135592
H 1.737893 1.253661 0.639499
H 2.854801 0.283785 1.670072
H 2.661742 -0.763810 -2.404878
H 1.630757 0.623288 -1.901249
H -1.372905 -1.557024 1.232993
H -0.833173 -2.806977 0.076163
H -1.936505 -1.497450 -1.799033
H -1.942680 0.795542 -0.868948
H -2.945451 0.280041 0.530464
H 3.922068 1.037749 -2.610468
H -4.068345 -2.125810 -0.982882
H 7.334832 0.518224 1.003788
H 6.255317 1.784094 -3.000301
H 7.978509 1.554363 -1.170943
H 6.298264 0.212671 3.043007
H 5.356027 -1.274608 3.439448
H 6.697861 -1.355542 2.234581
H -6.522635 2.241693 -1.229188
H -4.870238 -1.100627 1.019985
H -8.388883 2.437907 0.432685
H -6.699389 -0.861936 2.707553
H -8.476437 0.894901 2.419328


