%chk=000298223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298223

0 1
S 0.482291 2.138242 -1.072345
S 2.666074 0.985526 0.379847
O -1.662920 -1.759915 -0.475750
O -1.393458 0.243546 1.959147
O -3.368219 -1.563314 1.487963
O -4.519560 0.915047 -0.971254
O 2.197794 -2.424517 0.143236
N 1.048320 -0.986226 -1.215913
C 0.322055 -0.387718 -0.066749
C -1.195236 -0.394081 -0.399641
C -2.049636 0.304054 0.689213
C 0.852819 1.001199 0.286877
C -3.470831 -0.283989 0.865073
C -4.266413 -0.391302 -0.447709
C 2.114494 -1.878463 -0.943724
C 0.788109 3.788202 -0.341494
C 3.013854 0.041642 1.909984
C 3.022417 -2.161527 -2.102259
C 0.387264 4.790811 -1.400533
C 4.459222 0.318695 2.258144
H 0.469515 -1.060884 0.836600
H -1.412478 0.055459 -1.398492
H -2.097983 1.399288 0.468518
H 0.402322 1.348577 1.251505
H -4.026504 0.312829 1.628362
H 1.111546 -0.390806 -2.045713
H -3.687946 -0.889113 -1.253273
H -5.210872 -0.941084 -0.291541
H -0.964542 -2.355287 -0.828567
H -1.606569 -0.621805 2.404504
H -2.867798 -2.198446 0.896879
H 1.857135 3.882968 -0.067222
H 0.195465 3.906804 0.584036
H 2.838542 -1.040963 1.719018
H 2.328877 0.353184 2.717706
H 2.482746 -2.392479 -3.029423
H 3.669954 -3.024695 -1.876240
H 3.688145 -1.308221 -2.304305
H -5.204615 1.370645 -0.441204
H 0.537363 5.818959 -1.040822
H -0.671772 4.702584 -1.682820
H 0.979650 4.686395 -2.320933
H 4.751386 -0.229987 3.165294
H 4.647680 1.383774 2.450545
H 5.147812 0.001591 1.462374


%chk=000298223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298223

0 1
S 0.374385 2.195313 -1.344580
S 2.734630 1.141119 0.342849
O -1.514321 -1.946259 -0.445610
O -1.248519 -0.151988 2.142701
O -3.316025 -1.862162 1.485148
O -4.367657 1.031918 -0.730743
O 2.225711 -2.548701 -0.049960
N 1.031511 -1.005920 -1.334704
C 0.362724 -0.382453 -0.176965
C -1.177530 -0.504211 -0.333268
C -1.948507 0.088067 0.871059
C 0.852526 1.060056 0.087775
C -3.392221 -0.465026 1.012263
C -4.254422 -0.362018 -0.262434
C 2.041130 -1.961578 -1.157011
C 0.744535 3.879036 -0.537371
C 2.852452 0.203085 2.003464
C 2.887610 -2.244536 -2.390379
C 0.668229 4.981676 -1.600834
C 4.206017 0.503673 2.662230
H 0.642367 -0.988297 0.703721
H -1.517471 0.012546 -1.253737
H -1.983392 1.182107 0.734844
H 0.383113 1.432776 1.012481
H -3.881198 0.079961 1.842328
H 1.044038 -0.461499 -2.203527
H -3.789605 -0.908856 -1.097441
H -5.247321 -0.809221 -0.056698
H -0.807581 -2.385721 -0.985586
H -1.597771 -1.024267 2.480774
H -2.752581 -2.337223 0.799958
H 1.750583 3.798628 -0.093120
H 0.000884 4.030132 0.263761
H 2.735365 -0.870473 1.780290
H 2.008781 0.545146 2.628315
H 2.387575 -1.962990 -3.333460
H 3.147059 -3.314408 -2.418928
H 3.829349 -1.671252 -2.311306
H -4.938644 1.538539 -0.099873
H 0.867156 5.964144 -1.134020
H -0.330388 5.026459 -2.071096
H 1.418672 4.822159 -2.394786
H 4.290816 -0.056223 3.612273
H 4.317582 1.579772 2.883737
H 5.045852 0.194167 2.014363


