%chk=000229827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229827

0 1
S -1.500063 0.592922 -1.430630
S 4.872331 -0.296016 1.125338
O -1.811958 -0.555336 -0.157176
O -2.109449 1.873411 -1.057347
O 5.199316 1.645346 -0.619396
N -3.100616 -1.092402 -0.452536
C -4.048884 -0.414051 0.498617
C -2.953518 -2.560071 -0.171684
C -5.489457 -0.693756 0.043535
C -2.588729 -3.273407 -1.484486
C -6.490419 0.058398 0.915022
C -2.488564 -4.781925 -1.282722
C 0.231102 0.668232 -0.968372
C 0.823255 1.907961 -0.731327
C 0.972717 -0.510290 -0.925512
C 2.950570 0.791886 -0.426037
C 2.193851 1.974353 -0.466087
C 2.344874 -0.451478 -0.653221
C 4.401371 0.891324 -0.138029
C 6.666236 -0.002759 1.322894
C 6.939025 0.336031 2.769525
H -3.895150 -0.711296 1.555330
H -3.841200 0.683109 0.454415
H -3.907416 -2.963844 0.230030
H -2.175143 -2.750180 0.600848
H -5.607365 -0.391914 -1.017981
H -5.701020 -1.780330 0.072904
H -3.346522 -3.039042 -2.259190
H -1.631379 -2.875170 -1.873069
H -7.519190 -0.133512 0.588917
H -6.331643 1.143216 0.867004
H -6.418684 -0.236409 1.967964
H -2.222046 -5.287388 -2.218524
H -3.437903 -5.211094 -0.941796
H -1.724619 -5.044232 -0.541688
H 0.217989 2.821198 -0.743508
H 0.492105 -1.478220 -1.082494
H 2.675560 2.937869 -0.290397
H 2.930836 -1.372029 -0.622016
H 7.196556 -0.919675 1.002929
H 6.985623 0.815654 0.640347
H 6.423286 1.254459 3.085209
H 6.624032 -0.461896 3.455744
H 8.013204 0.499453 2.938653


%chk=000229827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229827

0 1
S -0.618187 -1.865140 -2.367617
S 5.401174 0.824164 0.563358
O -1.643046 -3.282635 -0.322681
O -2.083384 -1.141761 -1.868758
O 3.359090 2.558545 1.141435
N -2.613036 -2.401669 -0.297835
C -2.569781 -1.404575 0.832039
C -3.963832 -2.795130 -0.833624
C -3.470001 -0.171032 0.649868
C -3.884568 -3.884690 -1.909620
C -3.195572 0.866378 1.761138
C -5.297510 -4.300287 -2.373928
C 0.655686 -0.878616 -1.463644
C 0.320732 0.368719 -0.887529
C 1.977955 -1.377878 -1.387991
C 2.648357 0.627457 -0.139194
C 1.312188 1.112552 -0.225311
C 2.968529 -0.625245 -0.728501
C 3.646340 1.473704 0.573375
C 6.198793 2.177210 1.625156
C 6.095413 1.879338 3.126902
H -2.845580 -1.963225 1.752099
H -1.510519 -1.114160 0.917417
H -4.431016 -1.880080 -1.231597
H -4.560563 -3.147793 0.036361
H -3.269061 0.266758 -0.343995
H -4.537932 -0.460884 0.677151
H -3.300882 -3.496150 -2.763040
H -3.334095 -4.755818 -1.513140
H -3.845173 1.751037 1.638686
H -2.145242 1.211838 1.733271
H -3.385426 0.445295 2.766403
H -5.234746 -5.078936 -3.154532
H -5.853512 -3.443783 -2.799053
H -5.894316 -4.711988 -1.537906
H -0.708227 0.734495 -0.972840
H 2.229756 -2.350932 -1.823892
H 1.080731 2.083623 0.224600
H 3.987860 -1.020902 -0.664309
H 7.242290 2.226696 1.273039
H 5.672699 3.110964 1.365751
H 5.039592 1.842472 3.444179
H 6.573892 0.918603 3.385059
H 6.597035 2.680560 3.703251


