%chk=000243504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243504

0 1
S -1.785302 -1.219919 0.979561
O 0.402707 -1.393458 -0.496361
O -1.850416 -2.557766 0.432959
O -1.748053 -1.067470 2.410454
O -0.472019 1.486178 1.263789
N -0.261763 -0.551093 0.382601
C 1.908545 -3.077199 -0.999926
C 1.273316 -2.374296 0.194828
C -2.976149 -0.224167 0.261359
C 3.393660 -2.736408 -1.168871
C 0.261409 0.738900 0.632534
C 1.614665 1.112882 0.150684
C -3.249394 1.047620 0.783257
C -3.698365 -0.692968 -0.844790
C -4.965621 1.374130 -0.901290
C 3.990829 -3.421007 -2.395608
C -4.239338 1.842725 0.207150
C -4.687480 0.098060 -1.424979
C 2.398173 1.933780 0.982132
C 2.104411 0.719169 -1.101021
C 4.161584 1.940485 -0.685374
C 3.665050 2.338029 0.570133
C 3.371846 1.132183 -1.517375
C -6.023018 2.231261 -1.511246
C 5.517815 2.387673 -1.120254
H 1.344551 -2.796692 -1.919941
H 1.771637 -4.172558 -0.906426
H 0.629130 -3.042435 0.792470
H 1.981205 -1.839553 0.843587
H 3.520605 -1.637562 -1.251388
H 3.954516 -3.038432 -0.262298
H -2.673573 1.425305 1.642482
H -3.487833 -1.689592 -1.252591
H 3.911424 -4.512424 -2.328752
H 3.484942 -3.113174 -3.317859
H 5.053418 -3.177072 -2.506531
H -4.444867 2.830218 0.616993
H -5.244844 -0.273199 -2.282464
H 2.001792 2.253864 1.949543
H 1.493678 0.081592 -1.748492
H 4.270392 2.968603 1.218534
H 3.743173 0.825781 -2.493286
H -6.505551 1.767671 -2.382011
H -6.819403 2.458708 -0.785867
H -5.612239 3.195856 -1.846898
H 5.553924 3.481107 -1.240606
H 5.827007 1.949428 -2.078243
H 6.286826 2.119835 -0.380907


%chk=000243504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243504

0 1
S -1.726364 -1.232183 0.566903
O 0.772786 -1.446724 -0.883776
O -1.832015 -2.639482 -0.241975
O -1.622476 -1.260543 2.189778
O -0.347792 1.359024 1.072038
N -0.042636 -0.447273 -0.322030
C 2.113271 -3.466128 -0.593104
C 1.533563 -2.267341 0.151279
C -3.133944 -0.118374 0.005637
C 3.167607 -3.101448 -1.663441
C 0.449468 0.716460 0.319928
C 1.827495 1.213147 -0.000734
C -3.424930 1.027954 0.761946
C -3.861881 -0.520411 -1.124008
C -5.301357 1.455328 -0.785791
C 3.771626 -4.352049 -2.336293
C -4.524412 1.809865 0.351473
C -4.955412 0.286780 -1.512455
C 2.391888 2.145221 0.912576
C 2.555058 0.864550 -1.167333
C 4.408027 2.345317 -0.485640
C 3.665337 2.692046 0.676280
C 3.826844 1.430416 -1.400342
C -6.480000 2.314218 -1.206039
C 5.776671 2.949772 -0.738111
H 1.279721 -4.030797 -1.052544
H 2.571425 -4.134324 0.165272
H 0.806595 -2.573759 0.924342
H 2.311678 -1.614199 0.590677
H 2.697409 -2.456629 -2.430388
H 3.974099 -2.500971 -1.194616
H -2.804971 1.298811 1.620527
H -3.592168 -1.433337 -1.664133
H 4.274545 -5.000657 -1.594163
H 2.986020 -4.953984 -2.830131
H 4.517308 -4.075653 -3.103834
H -4.778754 2.711613 0.920408
H -5.545960 -0.000219 -2.389608
H 1.810170 2.427183 1.796150
H 2.126163 0.169603 -1.894486
H 4.091156 3.401127 1.396566
H 4.374197 1.161172 -2.311202
H -6.965815 1.922524 -2.115435
H -7.243698 2.359738 -0.407281
H -6.163437 3.353703 -1.411217
H 5.715670 4.050819 -0.827442
H 6.228698 2.560731 -1.666126
H 6.470529 2.731960 0.095291


