%chk=000216262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216262

0 1
S 0.584849 0.259861 -0.584823
O -4.751908 2.139860 0.266139
O -5.534149 -1.333272 1.843446
O 4.895368 0.090916 -2.107896
O -1.753148 3.255419 1.537460
O 0.109380 2.646282 0.436417
N -2.965940 0.694633 1.067138
N 3.034635 -1.906013 0.403427
N 7.684506 0.310534 1.416223
C -3.177194 -0.776511 0.676536
C -4.491314 -0.368237 -0.046387
C -1.905608 -1.205255 -0.116886
C -4.197478 1.095765 0.385622
C -1.030603 0.031302 -0.025252
C -1.660142 1.065756 0.602733
C -5.795460 -0.971427 0.471588
C 1.163220 -1.401322 -1.088605
C -2.166584 -1.641592 -1.551490
C 3.623727 -1.470481 -0.908094
C 2.450770 -1.166069 -1.880874
C 1.591807 -2.210696 0.146784
C 4.555570 -0.243302 -0.742546
C -6.213998 -2.216546 -0.305295
C -1.005730 2.359443 0.830119
C 5.820293 -0.567013 0.058118
C 6.519134 0.702784 0.564490
C 8.449438 1.501330 1.879036
H -3.349524 -1.411766 1.571620
H -4.442958 -0.460032 -1.150810
H -1.419333 -2.046813 0.438872
H -6.603164 -0.200577 0.465446
H 0.382441 -1.918345 -1.688867
H -2.519677 -0.812908 -2.179212
H -2.917075 -2.440479 -1.593831
H -1.247998 -2.027446 -2.024705
H 4.221462 -2.332226 -1.299609
H 2.540000 -0.147691 -2.312652
H 2.501065 -1.837614 -2.757581
H 1.516252 -3.301897 -0.064626
H 0.976771 -2.018543 1.045746
H 3.105891 -1.155579 1.102231
H 4.005942 0.628845 -0.319293
H -6.385904 -2.002219 -1.365802
H -7.141133 -2.646223 0.091826
H -5.447490 -2.999979 -0.240425
H -6.350570 -1.634988 2.283847
H 5.574651 -1.220771 0.925294
H 6.506592 -1.175334 -0.564050
H 5.820885 1.292438 1.202006
H 6.799760 1.357605 -0.288504
H 5.627870 0.733746 -2.131736
H -1.272468 4.121732 1.664946
H 8.310338 -0.303509 0.882838
H 8.862777 2.132609 1.078925
H 9.281950 1.156043 2.514826
H 7.803305 2.130370 2.514152


%chk=000216262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216262

0 1
S 0.500037 0.579949 -1.040847
O -5.204008 1.953449 0.373626
O -5.306866 -1.392403 2.162946
O 5.331768 -0.414914 -2.042028
O -2.255780 3.192689 1.690431
O -0.343687 3.138474 0.352903
N -3.123788 0.701165 0.736305
N 2.791803 -1.325247 0.559057
N 7.794427 0.182901 1.606981
C -3.170987 -0.761776 0.373939
C -4.686000 -0.568352 -0.006036
C -2.008758 -0.933632 -0.660105
C -4.490620 0.936935 0.387780
C -1.141813 0.314393 -0.356634
C -1.857355 1.250360 0.378375
C -5.742125 -1.380244 0.750698
C 1.153865 -1.222061 -1.223920
C -2.430938 -0.956147 -2.152186
C 3.580200 -1.351629 -0.714117
C 2.555324 -1.119991 -1.888359
C 1.453467 -1.838984 0.176047
C 4.728832 -0.331658 -0.692476
C -5.895665 -2.815426 0.211709
C -1.395114 2.583857 0.772009
C 5.763395 -0.609786 0.416704
C 6.806680 0.514968 0.567302
C 8.833626 1.203872 1.826540
H -3.032437 -1.395585 1.263799
H -4.873972 -0.641672 -1.092098
H -1.457188 -1.864021 -0.434751
H -6.708020 -0.837662 0.656913
H 0.425138 -1.790133 -1.823913
H -2.979235 -0.037402 -2.426493
H -3.078355 -1.828903 -2.355687
H -1.548450 -1.020623 -2.812733
H 4.022308 -2.361283 -0.820945
H 2.724058 -0.143476 -2.375721
H 2.670976 -1.887011 -2.672879
H 1.506068 -2.942196 0.075047
H 0.701462 -1.594464 0.944441
H 2.699622 -0.353344 0.902199
H 4.297436 0.688264 -0.545034
H -6.204121 -2.810565 -0.850569
H -6.662574 -3.371937 0.781852
H -4.941048 -3.364589 0.300310
H -6.058346 -1.680151 2.738283
H 5.241954 -0.747502 1.381269
H 6.271379 -1.567943 0.181217
H 6.296416 1.454461 0.862971
H 7.293884 0.724054 -0.428578
H 6.129158 0.172964 -2.065947
H -1.913360 4.104441 1.894123
H 8.186574 -0.758179 1.473077
H 9.425808 1.462933 0.913832
H 9.535660 0.859270 2.606025
H 8.363384 2.136088 2.191345


