%chk=000268629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268629

0 1
S -2.682889 -1.880865 0.142748
O 2.867366 -1.594451 -0.977654
O 4.538610 0.123088 0.719586
O -3.634988 2.372591 -0.183673
O -5.092888 -1.875496 -0.854492
N -4.334180 0.237826 -0.395518
C -1.951944 0.701048 0.217932
C 0.516516 1.025843 0.009181
C -0.890476 1.391535 -0.229336
C -1.898109 -0.522566 1.053802
C 1.043565 -0.150455 -0.543146
C 1.327239 1.876514 0.778212
C 2.391070 -0.463419 -0.332653
C 3.212997 0.406392 0.421077
C -3.320068 1.203666 -0.114903
C 2.673059 1.569094 0.984435
C -4.217087 -1.169118 -0.438513
C 3.428450 -2.601960 -0.089671
C 5.411942 0.093678 -0.445065
H -1.027897 2.312254 -0.817307
H -0.856134 -0.840495 1.286009
H -2.398755 -0.371509 2.034509
H 0.427476 -0.821245 -1.144254
H 0.907673 2.783770 1.213364
H 3.316865 2.221834 1.574907
H -5.258292 0.629127 -0.658024
H 3.868640 -3.312198 -0.798456
H 2.618127 -3.062499 0.481817
H 4.186322 -2.166568 0.571485
H 5.508072 1.106304 -0.846234
H 5.028814 -0.600214 -1.201706
H 6.356802 -0.255907 -0.015057


%chk=000268629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268629

0 1
S -2.913339 -1.937080 -0.801873
O 2.946558 -1.716147 -0.592296
O 4.743905 0.369361 0.435388
O -3.559134 2.423896 0.242679
O -5.486746 -1.359028 -1.458133
N -4.428981 0.347124 -0.278070
C -2.009669 0.525602 0.259338
C 0.529277 1.006295 0.251502
C -0.900547 1.335285 0.191057
C -2.057987 -0.940014 0.583311
C 1.083423 -0.231522 -0.184935
C 1.423754 2.005598 0.739131
C 2.468136 -0.472540 -0.119768
C 3.350601 0.545630 0.354770
C -3.336490 1.188891 0.090954
C 2.809025 1.772546 0.801125
C -4.462724 -0.930230 -0.883300
C 3.586078 -2.564329 0.443087
C 5.432068 0.075043 -0.848120
H -1.130916 2.407672 0.097153
H -1.069850 -1.395450 0.719122
H -2.659791 -1.119257 1.490641
H 0.464257 -1.012612 -0.635615
H 1.020627 2.969623 1.069556
H 3.500148 2.537706 1.167543
H -5.326412 0.847746 -0.336565
H 3.929471 -3.463994 -0.088928
H 2.844554 -2.842879 1.215240
H 4.438716 -2.043187 0.914724
H 5.363478 0.953746 -1.515755
H 4.992618 -0.808217 -1.343354
H 6.481789 -0.109679 -0.576206


