%chk=000214840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214840

0 1
S 1.753270 -3.039752 0.570364
S -3.355547 -0.712032 -2.694642
O -1.222125 0.385956 1.988888
O 4.440153 -0.379713 -0.682986
O 2.173703 2.078807 1.202121
O 1.526693 1.670509 3.330347
O -3.112430 -2.906028 -0.152609
O 2.342165 0.032262 -1.547274
N 0.804264 -0.966371 2.226674
N -0.984502 -2.021205 -0.130219
N -2.608026 3.258780 -0.601716
C 0.603365 -2.408613 1.836425
C -0.831259 -2.076235 1.321941
C -0.564361 -0.618267 1.881396
C 1.959902 -0.202352 1.878919
C 3.065575 -0.759875 1.317166
C 3.275917 -2.234691 1.199456
C 4.143299 0.084868 0.694168
C 1.868065 1.326589 2.188646
C -2.189805 -2.372123 -0.760134
C -2.229668 -2.088700 -2.258958
C 3.497841 -0.352096 -1.678259
C -2.941435 0.821392 -1.917240
C 4.121581 -0.874387 -2.940676
C -1.666957 1.373171 -1.780567
C -4.058787 1.534860 -1.430048
C -1.515177 2.595396 -1.100013
C -3.875220 2.743856 -0.775310
C -2.458174 4.484672 0.208542
H 0.619472 -3.063164 2.730773
H -1.657759 -2.644750 1.793193
H 3.555444 -2.679268 2.175622
H 4.085309 -2.485449 0.484564
H -0.169666 -1.693086 -0.662599
H 5.134050 -0.050780 1.164484
H 3.873081 1.160984 0.634971
H -2.718047 -2.954451 -2.761215
H -1.226476 -2.003056 -2.715458
H 3.981798 -0.160707 -3.767627
H 3.655428 -1.826229 -3.240382
H 5.202465 -1.052551 -2.826293
H -0.757023 0.900798 -2.174474
H -5.071205 1.130368 -1.533889
H -0.486609 3.025588 -0.891494
H -4.718023 3.303240 -0.350674
H -1.431325 4.923462 0.094387
H -2.487305 4.232151 1.296972
H -3.219824 5.238724 -0.028558


%chk=000214840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214840

0 1
S 1.644814 -2.862558 0.585708
S -3.223299 -0.777169 -3.025836
O -1.745576 0.458713 1.598027
O 4.095845 0.061280 -0.773292
O 1.461751 2.524187 0.853578
O 0.596340 2.035009 2.966497
O -3.515074 -2.616413 -0.235779
O 1.944921 0.281188 -1.692318
N 0.409975 -0.662579 1.933092
N -1.217207 -2.197324 -0.138896
N -1.725081 2.670959 -0.326655
C 0.378522 -2.158861 1.804829
C -1.106477 -2.050871 1.312121
C -0.981632 -0.518641 1.670972
C 1.483327 0.226641 1.676695
C 2.697465 -0.274800 1.262411
C 3.037140 -1.743771 1.315559
C 3.705030 0.626557 0.589803
C 1.147895 1.729675 1.849386
C -2.412748 -2.387370 -0.809241
C -2.266886 -2.278192 -2.335966
C 3.152420 -0.047272 -1.785707
C -2.568060 0.588671 -2.006014
C 3.794086 -0.654740 -3.020929
C -1.190410 0.821342 -1.778269
C -3.511139 1.468070 -1.412484
C -0.786555 1.863330 -0.927291
C -3.063838 2.490295 -0.574156
C -1.304156 3.659910 0.713979
H 0.514517 -2.661150 2.773494
H -1.881427 -2.635751 1.825842
H 3.189693 -2.114410 2.343584
H 3.928036 -1.979629 0.713482
H -0.347081 -2.034724 -0.662574
H 4.688758 0.653730 1.087217
H 3.284447 1.636713 0.450912
H -2.779074 -3.124894 -2.821308
H -1.220923 -2.232786 -2.679234
H 3.173735 -0.442209 -3.904560
H 3.872033 -1.750464 -2.896375
H 4.812671 -0.261631 -3.164965
H -0.396028 0.219486 -2.227061
H -4.584018 1.315162 -1.548649
H 0.266950 2.041090 -0.652905
H -3.751174 3.152109 -0.043789
H -0.218627 3.833914 0.632430
H -1.470167 3.203839 1.705662
H -1.887607 4.586844 0.595681


