%chk=000222622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222622

0 1
S -4.374281 -1.502719 -0.297849
O -0.008346 -2.436152 -1.937736
O -3.361784 -1.151005 -1.642644
O 2.497367 -0.341616 -2.463047
O 4.845937 2.453238 0.361475
O -4.009277 -2.842550 0.092265
O -5.689670 -1.174663 -0.764247
O 1.088171 -2.329922 0.036915
N -0.091868 0.825615 -1.176635
N 2.552889 2.529926 0.534825
N 3.665063 1.053628 -1.057807
N 0.049730 2.385629 0.494692
C -0.653543 -0.135508 -2.134947
C -1.000879 -1.484130 -1.468962
C 1.276611 1.068088 -0.960084
C 1.330695 2.041735 0.078695
C -2.329220 -2.070526 -1.983956
C -0.790116 1.626526 -0.284043
C 2.448924 0.501532 -1.584671
C 3.770953 2.035540 -0.024535
C 2.599997 3.534890 1.624053
C 4.954958 0.542224 -1.599758
C -3.789905 -0.345987 0.814185
C 1.081009 -2.703118 -1.110302
C -4.321273 0.950732 0.825272
C -2.757122 -0.683459 1.701983
C -2.716939 1.598841 2.529073
C 2.094140 -3.445656 -1.895244
C -3.786844 1.919433 1.671188
C -2.220498 0.280323 2.549486
C -2.084778 2.648206 3.371455
H -1.565195 0.305019 -2.609935
H 0.093224 -0.321175 -2.956663
H -0.970778 -1.428946 -0.355570
H -2.509263 -3.084003 -1.566533
H -2.354732 -2.132272 -3.090257
H -1.873508 1.655665 -0.211448
H 3.639431 3.888556 1.770158
H 2.239258 3.093816 2.569620
H 1.959959 4.399119 1.371264
H 5.711939 1.347802 -1.618363
H 5.337115 -0.279441 -0.970495
H 4.806678 0.163858 -2.627848
H -5.157952 1.206596 0.163814
H -2.368676 -1.709485 1.730715
H 2.744997 -2.717412 -2.426684
H 1.647333 -4.087131 -2.670747
H 2.734408 -4.064410 -1.250104
H -4.195701 2.929238 1.668555
H -1.403370 0.018624 3.222561
H -1.205054 3.066015 2.839705
H -2.753425 3.490743 3.591342
H -1.718387 2.262726 4.332719


%chk=000222622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222622

0 1
S -4.428700 -1.601927 -0.294952
O 0.016350 -2.443771 -2.020243
O -3.440484 -1.085763 -1.861163
O 2.526642 -0.334839 -2.595406
O 4.921938 2.400276 0.405544
O -3.899782 -3.079839 0.124336
O -5.965567 -1.299227 -0.671428
O 1.138502 -2.076643 -0.005366
N -0.044254 0.873894 -1.278477
N 2.579239 2.491718 0.507620
N 3.701264 1.060329 -1.082014
N 0.106483 2.403750 0.418579
C -0.669695 -0.059467 -2.238022
C -1.014709 -1.444959 -1.632898
C 1.324394 1.085840 -1.042364
C 1.376642 2.027810 -0.001172
C -2.338639 -2.004569 -2.184681
C -0.722961 1.680828 -0.381848
C 2.499074 0.527032 -1.658166
C 3.799085 2.011873 -0.023941
C 2.599508 3.479447 1.603293
C 4.996870 0.576776 -1.612763
C -3.794165 -0.335520 0.930064
C 1.087820 -2.635971 -1.123077
C -4.392513 0.935043 0.936734
C -2.723201 -0.701130 1.762909
C -2.738662 1.604408 2.645212
C 2.114672 -3.556700 -1.727741
C -3.850054 1.903080 1.811307
C -2.205424 0.286949 2.626205
C -2.093073 2.679993 3.491726
H -1.605045 0.411191 -2.588404
H 0.015398 -0.199890 -3.090271
H -1.045267 -1.379046 -0.529944
H -2.526540 -3.012812 -1.766172
H -2.330236 -2.074487 -3.287869
H -1.808831 1.722391 -0.340923
H 3.652002 3.710009 1.822726
H 2.108603 3.062423 2.498962
H 2.063228 4.393331 1.297735
H 5.604641 1.430310 -1.953256
H 5.555748 0.047517 -0.823444
H 4.776517 -0.101972 -2.449132
H -5.249176 1.156188 0.292292
H -2.314195 -1.716593 1.745250
H 2.756566 -2.949380 -2.392187
H 1.637508 -4.341268 -2.335526
H 2.735395 -4.001585 -0.936037
H -4.288473 2.906809 1.834920
H -1.361082 0.035512 3.276826
H -1.222983 3.094332 2.945058
H -2.787296 3.510650 3.703991
H -1.724681 2.280251 4.452499


