%chk=000183389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183389

0 1
S -0.855481 0.773261 -0.478351
O -3.170220 -1.205930 0.396052
O 2.366970 -1.107536 -1.638402
N 5.598584 1.533173 0.573140
N 2.082354 0.225957 0.196143
C 4.472846 0.565883 0.784457
C 3.285619 1.044403 -0.081049
C 0.481313 -1.569379 -0.225840
C -0.761269 -0.934428 -0.123237
C -1.876458 -1.690740 0.244540
C 1.716773 -0.815684 -0.649240
C -2.552929 1.109831 -0.238157
C -3.468929 0.130845 0.149716
C 0.594660 -2.939810 0.030779
C -1.781457 -3.066786 0.514478
C -0.535384 -3.681357 0.401128
C 6.350038 1.212106 -0.677061
C 6.523275 1.529533 1.745980
C -2.999453 2.418052 -0.450691
C -4.830022 0.423379 0.336293
C -4.350198 2.726499 -0.268882
C -5.258801 1.732995 0.122532
H 4.179266 0.565288 1.855331
H 4.731842 -0.483634 0.529197
H 3.544052 0.971006 -1.165172
H 3.060296 2.114096 0.126988
H 1.551593 0.453189 1.031222
H 1.563187 -3.431818 -0.074546
H -2.673607 -3.623521 0.798745
H -0.440362 -4.750215 0.598138
H 7.090717 2.006918 -0.859628
H 5.654310 1.214662 -1.532493
H 6.873186 0.244713 -0.668652
H 6.996894 0.561009 1.961773
H 5.970072 1.856955 2.640648
H 7.320454 2.271065 1.573470
H -2.298871 3.197042 -0.758382
H -5.516835 -0.365072 0.638480
H -4.699324 3.744515 -0.433831
H -6.311101 1.984134 0.260686


%chk=000183389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183389

0 1
S -0.905017 0.663587 -1.147152
O -3.222471 -1.244187 -0.352359
O 2.890517 -1.882717 -0.937590
N 5.492874 1.618901 0.474020
N 2.071819 0.233733 -0.469323
C 4.190562 0.940816 0.665430
C 3.382333 0.878129 -0.655367
C 0.530337 -1.724553 -0.395302
C -0.730048 -1.070250 -0.509406
C -1.915978 -1.796608 -0.233665
C 1.910547 -1.126686 -0.635936
C -2.472215 1.114161 -0.301160
C -3.437896 0.120177 -0.039055
C 0.549819 -3.103348 -0.050490
C -1.879623 -3.153795 0.136796
C -0.636118 -3.813644 0.210769
C 6.486387 0.777739 -0.228643
C 6.039484 2.166601 1.732385
C -2.749206 2.462488 0.007392
C -4.688237 0.459365 0.514654
C -4.007154 2.813864 0.549345
C -4.975663 1.812864 0.797268
H 3.608642 1.519053 1.408547
H 4.302057 -0.097465 1.065124
H 3.932164 0.292483 -1.410701
H 3.236797 1.903290 -1.039028
H 1.268948 0.812678 -0.205888
H 1.528968 -3.589789 -0.016180
H -2.825513 -3.663772 0.340238
H -0.595542 -4.874474 0.476389
H 7.397627 1.370918 -0.424263
H 6.090465 0.439173 -1.200424
H 6.778924 -0.130448 0.356505
H 6.298262 1.380568 2.487064
H 5.307002 2.854478 2.191266
H 6.957981 2.742024 1.516394
H -1.994964 3.232252 -0.187656
H -5.412585 -0.337743 0.705563
H -4.226111 3.862416 0.774506
H -5.950575 2.082321 1.216233


