%chk=000218931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218931

0 1
S -2.804222 -0.901290 1.690056
P -3.154820 1.004133 0.863391
O -2.871517 0.772921 -0.754576
O -2.285612 2.087647 1.367276
O 2.361590 2.355982 -0.656733
N 0.662663 -2.058985 -0.168286
C -0.707172 -1.512869 0.028800
C -0.995074 -1.099863 1.472941
C 1.766410 -1.165130 -0.102267
C 0.845389 -3.416474 0.411763
C 1.576523 0.208635 -0.337672
C 3.083171 -1.660055 0.092090
C -4.989657 1.139595 1.119665
C 2.700460 1.047903 -0.397741
C 4.169266 -0.792219 0.031165
C 4.006905 0.574794 -0.211695
C -3.754491 -0.086346 -1.523557
C -3.004613 -0.275233 -2.830741
C 3.423213 3.339444 -0.695687
H -0.836952 -0.640836 -0.665278
H -1.430305 -2.287007 -0.318199
H -0.442235 -0.178446 1.756769
H -0.688947 -1.877486 2.199641
H 1.644003 -3.941257 -0.143596
H 1.113095 -3.406904 1.480273
H -0.075514 -4.008513 0.288793
H 0.591039 0.647144 -0.488501
H 3.258709 -2.713768 0.274293
H -5.530241 0.210921 0.908847
H -5.211781 1.416158 2.162819
H -5.412519 1.934974 0.489222
H 5.175804 -1.187397 0.178648
H 4.865424 1.229726 -0.253303
H -4.712192 0.447164 -1.674865
H -3.923801 -1.047926 -1.004117
H -3.650188 -0.679811 -3.616762
H -2.599512 0.687348 -3.183382
H -2.141620 -0.943823 -2.714713
H 4.116370 3.117097 -1.511449
H 3.931528 3.388730 0.271362
H 2.863522 4.263423 -0.892396


%chk=000218931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218931

0 1
S -3.034998 -1.211161 1.286333
P -2.909339 0.877070 0.282250
O -3.318179 0.658677 -1.403170
O -1.466894 1.541372 0.437667
O 2.336217 2.487424 -0.143215
N 0.946096 -2.136413 0.298233
C -0.468034 -1.788715 0.118441
C -1.144205 -1.418534 1.459279
C 1.975214 -1.175942 0.197150
C 1.278516 -3.544692 0.545636
C 1.689986 0.215603 0.086908
C 3.345380 -1.595553 0.202680
C -4.330423 1.843084 1.006974
C 2.747807 1.145178 -0.035541
C 4.375792 -0.645384 0.088677
C 4.105465 0.735321 -0.036172
C -4.400433 -0.273151 -1.816558
C -4.259600 -0.450839 -3.326578
C 3.379184 3.503401 -0.265578
H -0.564507 -0.944455 -0.587474
H -1.000301 -2.648867 -0.330335
H -0.742208 -0.475650 1.864095
H -1.036308 -2.221812 2.208309
H 1.811550 -4.007781 -0.311690
H 1.914022 -3.664296 1.445044
H 0.348925 -4.113747 0.712661
H 0.672067 0.620767 0.113997
H 3.605175 -2.654247 0.279908
H -5.271718 1.283175 0.890905
H -4.129791 2.009659 2.076207
H -4.394468 2.808752 0.480270
H 5.417201 -0.988790 0.090130
H 4.925594 1.452212 -0.126450
H -5.384641 0.168165 -1.556493
H -4.282054 -1.234409 -1.277998
H -5.052347 -1.123422 -3.703859
H -4.347363 0.520204 -3.842330
H -3.277339 -0.887385 -3.573211
H 3.990201 3.351652 -1.177716
H 4.042836 3.515682 0.622022
H 2.840020 4.459948 -0.337110


