%chk=000268998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268998

0 1
S 2.068154 1.658920 0.979618
O 4.168807 -1.787879 -1.004225
O 1.545664 0.104872 0.552090
O 0.568639 -1.867666 -0.619973
O 5.835007 -1.086914 0.342511
O 3.118161 1.973839 0.041273
O 2.347596 1.615871 2.392122
O -0.355197 -3.103877 1.045356
O -6.242043 0.087610 -1.354649
O -5.031521 1.878272 -1.438154
N -5.178677 0.674433 -1.275566
C 2.199321 -1.095861 0.997949
C 1.929455 -2.106799 -0.147067
C 2.786422 -1.814976 -1.406182
C 3.691879 -0.958508 1.259288
C 4.502636 -0.763473 -0.024362
C 2.711649 -2.930838 -2.433436
C -0.479603 -2.294247 0.159609
C 0.616523 2.482952 0.617683
C 6.812616 -0.862569 -0.700229
C -1.707617 -1.563490 -0.274992
C -0.381198 2.611135 1.594703
C 0.406407 3.011346 -0.663814
C -1.587217 3.236403 1.287572
C -0.798996 3.635279 -0.976042
C -1.811972 3.749278 -0.004186
C -2.962016 -2.183114 -0.208905
C -1.576007 -0.230005 -0.691601
C -4.105382 -1.456393 -0.550858
C -2.712583 0.500832 -1.034227
C -3.967707 -0.118670 -0.948748
C -3.115794 4.377049 -0.346518
H 1.653461 -1.393165 1.927126
H 2.023462 -3.153439 0.210733
H 2.506909 -0.823584 -1.829951
H 4.067079 -1.879428 1.767846
H 3.921092 -0.152153 1.991583
H 4.414476 0.234026 -0.502573
H 3.254383 -2.658667 -3.347970
H 3.179621 -3.851629 -2.057151
H 1.672373 -3.154967 -2.701774
H 6.563032 -1.464909 -1.580024
H 6.867341 0.202347 -0.941972
H 7.739644 -1.212644 -0.232050
H -0.213262 2.220199 2.605595
H 1.193627 2.935372 -1.423912
H -2.359921 3.330206 2.050298
H -0.956290 4.043984 -1.973821
H -3.044442 -3.223452 0.119295
H -0.575280 0.224580 -0.734791
H -5.098727 -1.916640 -0.505711
H -2.631872 1.543999 -1.359802
H -3.580908 4.890480 0.507161
H -3.846751 3.614642 -0.685375
H -3.040153 5.113533 -1.158902


%chk=000268998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268998

0 1
S 1.940757 1.814599 1.686325
O 4.300536 -2.071854 -1.057815
O 2.359990 0.528360 0.354138
O 0.659824 -1.439336 -0.609132
O 6.187746 -1.449323 0.216801
O 3.150091 2.882980 1.665479
O 1.540078 0.998779 3.033993
O -0.248312 -2.780981 1.076800
O -6.529055 -0.071506 -0.755365
O -5.429384 1.517647 -1.967723
N -5.453963 0.446924 -1.241695
C 2.544951 -0.840352 0.897621
C 2.040627 -1.806298 -0.204564
C 2.922371 -1.736349 -1.472712
C 4.032327 -1.103133 1.203556
C 4.849598 -1.073011 -0.090528
C 2.520957 -2.745301 -2.545987
C -0.392105 -1.953406 0.145224
C 0.393373 2.564107 0.942745
C 7.112664 -1.336671 -0.923550
C -1.700322 -1.367163 -0.286936
C -0.845839 2.135800 1.447986
C 0.533008 3.536680 -0.059185
C -2.007867 2.718762 0.902548
C -0.650618 4.096013 -0.592429
C -1.932187 3.695589 -0.128353
C -2.881664 -1.807028 0.364904
C -1.765055 -0.361706 -1.286110
C -4.124655 -1.234016 0.039269
C -2.999422 0.226300 -1.613897
C -4.157634 -0.211343 -0.935336
C -3.198567 4.292907 -0.711462
H 1.935075 -0.952546 1.815750
H 2.039666 -2.833246 0.208351
H 2.889156 -0.697633 -1.867541
H 4.156080 -2.100394 1.664889
H 4.408230 -0.345750 1.912833
H 4.800645 -0.072464 -0.583553
H 3.204334 -2.668671 -3.408495
H 2.580997 -3.774390 -2.149337
H 1.490670 -2.554436 -2.892136
H 6.838128 -2.050542 -1.719589
H 7.110620 -0.304308 -1.330281
H 8.108531 -1.575543 -0.521378
H -0.894711 1.389917 2.247803
H 1.522167 3.857566 -0.399940
H -2.988454 2.411789 1.284099
H -0.574274 4.857342 -1.376507
H -2.801834 -2.585947 1.129590
H -0.844077 -0.036000 -1.774844
H -5.051852 -1.547901 0.525394
H -3.078503 1.013811 -2.367326
H -3.808798 4.776142 0.073890
H -3.834493 3.515781 -1.177151
H -2.975256 5.052255 -1.479232


