%chk=000131464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000131464

0 1
S -3.300940 0.055377 -0.044935
S -0.990662 -1.469213 -2.655386
O -2.007127 0.434985 0.974009
O 1.235883 1.568139 0.508360
O -1.551829 -1.329004 -1.033956
O 3.197512 1.263945 2.599611
O -3.013415 0.520401 -1.385228
O -3.784470 -1.257629 0.236003
O -0.701258 -2.852590 -2.856973
O 0.039648 -0.471574 -2.756076
N -4.350341 1.174325 0.678237
N -2.383425 -1.033949 -3.484055
C -0.655884 0.063496 0.685400
C -0.002981 1.190679 -0.134995
C -0.600065 -1.327163 0.032122
C 2.331832 0.728407 0.308755
C 3.265738 0.650492 1.369769
C 2.565933 0.040576 -0.885205
C 4.418870 -0.140491 1.221638
C 3.712445 -0.745407 -1.018402
C 4.631088 -0.838404 0.032764
C 2.170940 2.266891 2.804444
H -0.190807 0.029359 1.707083
H -0.583568 2.131053 -0.065879
H 0.161654 0.941270 -1.203917
H 0.421704 -1.580747 -0.307508
H -0.959571 -2.119110 0.725600
H 1.856650 0.124888 -1.719099
H 5.129127 -0.193239 2.045422
H 3.890243 -1.281926 -1.949078
H 5.522788 -1.454368 -0.076592
H -4.777494 0.952721 1.574441
H -4.145121 2.168135 0.623331
H -2.789264 -0.102586 -3.283613
H -3.139042 -1.716851 -3.557455
H 2.455416 2.685652 3.776191
H 2.208519 3.022076 2.011542
H 1.188277 1.787783 2.838430


%chk=000131464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131464

0 1
S -3.582852 0.107430 -0.071645
S -1.065199 -1.587279 -2.952413
O -2.119567 0.037012 1.132202
O 1.099896 1.429426 0.571384
O -1.654483 -1.686759 -1.129708
O 2.907749 1.309559 2.728451
O -3.166624 0.966419 -1.390157
O -4.429465 -1.254030 -0.172936
O -1.021367 -3.050323 -3.615453
O 0.248080 -0.647086 -2.945350
N -4.548644 1.180076 0.930288
N -2.458359 -0.731583 -3.566793
C -0.744118 -0.227804 0.644022
C -0.137465 0.990309 -0.106635
C -0.644328 -1.594831 -0.063767
C 2.283640 0.665468 0.403426
C 3.195538 0.677257 1.501986
C 2.607230 -0.047538 -0.774309
C 4.402576 -0.049890 1.408292
C 3.820268 -0.770735 -0.851252
C 4.716864 -0.780172 0.240471
C 2.696102 2.772288 2.680806
H -0.210454 -0.306601 1.616236
H -0.811548 1.854653 -0.012274
H 0.033999 0.784300 -1.176665
H 0.382083 -1.735641 -0.453530
H -0.887477 -2.415542 0.634239
H 1.930335 -0.049402 -1.635127
H 5.073410 -0.035512 2.273328
H 4.055556 -1.320704 -1.768449
H 5.653868 -1.343801 0.183908
H -5.063761 0.685424 1.666800
H -4.081990 2.058363 1.179258
H -2.784409 0.010449 -2.905204
H -3.163887 -1.379014 -3.941689
H 2.495723 3.067120 3.722310
H 3.610694 3.279247 2.316511
H 1.839390 3.025844 2.034241


