%chk=000255929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255929

0 1
S -1.966454 -2.260622 -0.892097
S -4.039514 -1.302922 0.849591
O -1.083146 1.973130 -1.909909
O -0.277557 1.000934 0.931201
O 2.605057 0.822319 -0.672992
O -4.535878 2.163096 -0.421725
O 2.453480 1.043723 1.571277
N -3.504024 0.455248 -1.522151
C -2.390544 0.410054 -0.553403
C -1.054408 0.678943 -1.304358
C 0.176610 0.579984 -0.363326
C -2.379529 -0.901419 0.231325
C 1.318263 1.481437 -0.851583
C -4.569364 1.340944 -1.327081
C -1.610749 -3.653762 0.240776
C -4.389475 0.046439 2.036749
C -5.692546 1.221742 -2.315096
C -1.169473 -4.803168 -0.637886
C -5.616341 -0.381914 2.810576
C 3.103125 0.695864 0.604415
C 4.455807 0.098523 0.588618
C 5.103824 -0.105859 1.818756
C 5.087173 -0.256605 -0.613499
C 6.382017 -0.666509 1.840928
C 6.365838 -0.817417 -0.582162
C 7.011684 -1.021728 0.642355
H -2.526900 1.259638 0.193276
H -0.912870 0.010162 -2.187500
H 0.521561 -0.478594 -0.279269
H -1.649358 -0.828406 1.076199
H -3.554583 -0.294463 -2.206375
H 1.329600 2.454208 -0.328816
H 1.307100 1.641802 -1.949072
H -1.461978 2.643679 -1.294677
H 0.503855 1.132489 1.542591
H -0.827653 -3.362511 0.963886
H -2.521155 -3.904849 0.820117
H -3.521009 0.210564 2.698391
H -4.566373 0.993479 1.478478
H -5.353696 1.325055 -3.354179
H -6.436605 2.014950 -2.135197
H -6.217269 0.260327 -2.222647
H -1.947828 -5.102411 -1.354783
H -0.266218 -4.566007 -1.217245
H -0.937815 -5.690665 -0.031689
H -6.485979 -0.540568 2.157499
H -5.453777 -1.311156 3.373280
H -5.904166 0.390855 3.538006
H 4.601021 0.177366 2.747842
H 4.573809 -0.091270 -1.564662
H 6.888883 -0.826396 2.792019
H 6.860193 -1.094703 -1.512539
H 8.010534 -1.459228 0.663067


%chk=000255929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255929

0 1
S -2.225508 -2.204141 -1.250112
S -4.154375 -1.401794 0.997032
O -1.224589 2.412444 -1.343285
O -0.335747 0.748445 1.047233
O 2.485164 0.699058 -0.635473
O -3.492631 2.548618 -2.604317
O 2.297750 0.946599 1.672961
N -3.812219 0.555122 -1.409661
C -2.619859 0.514575 -0.519232
C -1.286052 0.966079 -1.207884
C -0.044755 0.551490 -0.379106
C -2.546415 -0.907625 0.080082
C 1.160687 1.384399 -0.854401
C -4.197208 1.520255 -2.302782
C -1.552461 -3.580481 -0.120155
C -4.056412 -0.194290 2.475257
C -5.554126 1.309365 -2.962465
C -1.381594 -4.869674 -0.934182
C -4.923693 -0.721892 3.626711
C 2.976354 0.617542 0.654514
C 4.369386 0.099662 0.716946
C 4.967958 -0.061772 1.994279
C 5.099506 -0.225040 -0.456664
C 6.288083 -0.544637 2.096662
C 6.419674 -0.709290 -0.347671
C 7.015684 -0.869373 0.926341
H -2.752620 1.223417 0.322902
H -1.220266 0.464219 -2.199644
H 0.164869 -0.522830 -0.577041
H -1.735111 -0.927504 0.822607
H -4.503208 -0.169374 -1.168681
H 1.171955 2.365826 -0.352391
H 1.141486 1.526694 -1.943513
H -2.043450 2.692161 -1.883480
H 0.536193 0.924518 1.513895
H -0.592577 -3.230386 0.297678
H -2.283706 -3.704162 0.696389
H -2.991989 -0.127732 2.758190
H -4.397458 0.797010 2.133059
H -6.061668 0.386216 -2.636416
H -5.419695 1.277236 -4.057074
H -6.200157 2.175708 -2.738640
H -2.347396 -5.211719 -1.345788
H -0.677916 -4.729083 -1.774262
H -0.981281 -5.672213 -0.287464
H -5.981697 -0.821779 3.324152
H -4.570019 -1.709063 3.971834
H -4.881150 -0.020997 4.481259
H 4.385358 0.198281 2.884004
H 4.626708 -0.093010 -1.433778
H 6.750207 -0.667324 3.081926
H 6.984928 -0.959856 -1.251671
H 8.042255 -1.244097 1.006622


