%chk=000273047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273047

0 1
S 2.203666 -1.468827 1.087612
O -1.482819 0.556511 -2.292016
O 3.331657 -1.332547 1.990154
O 0.855067 -1.512207 1.650187
N 2.336437 -2.975461 0.258450
C -1.245250 0.131957 -0.925753
C 0.001224 -0.769690 -1.094029
C 1.304907 -0.025856 -1.078896
C -1.020692 1.352952 -0.039226
C -2.439488 -0.682001 -0.425546
C 2.326569 -0.289594 -0.157128
C 1.505332 0.967519 -2.063089
C -0.634190 1.191764 1.298767
C -3.628000 -0.733493 -1.164786
C -1.197106 2.645804 -0.551433
C -2.349910 -1.389752 0.782930
C 3.527153 0.444985 -0.218567
C 2.694333 1.681832 -2.117298
C 3.717524 1.419971 -1.189263
C -0.443787 2.307890 2.116412
C -4.719783 -1.470677 -0.695791
C -1.007530 3.762037 0.268339
C -3.440883 -2.125101 1.249997
C -0.633694 3.595725 1.605005
C -4.629763 -2.165416 0.513424
C 3.715243 -3.452406 0.000034
H -0.100867 -1.297290 -2.075325
H -0.042620 -1.585893 -0.338109
H 0.692818 1.174085 -2.768543
H -2.289376 1.110471 -2.357556
H -0.472082 0.183539 1.708692
H -3.702803 -0.209688 -2.117748
H -1.468475 2.787346 -1.597216
H -1.417282 -1.368084 1.367298
H 4.318596 0.249805 0.517116
H 2.838116 2.450399 -2.877987
H 4.646757 1.984207 -1.229471
H -0.144916 2.170709 3.154880
H -5.639780 -1.503630 -1.276296
H -1.149334 4.761784 -0.137145
H -3.362920 -2.667706 2.191110
H 1.728915 -3.735079 0.591723
H -0.487957 4.464104 2.244069
H -5.479876 -2.737044 0.880064
H 3.688880 -4.442457 -0.485336
H 4.334478 -3.532699 0.912428
H 4.222310 -2.765199 -0.700537


%chk=000273047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273047

0 1
S 2.572912 -1.578031 1.095463
O -1.411477 0.715769 -2.170325
O 4.088019 -1.621700 1.705592
O 1.301109 -1.431566 2.113316
N 2.185757 -3.141352 0.133565
C -1.221129 0.277836 -0.753067
C 0.045436 -0.635564 -0.775364
C 1.384167 0.059492 -0.993585
C -1.052048 1.499216 0.172247
C -2.442852 -0.597201 -0.371217
C 2.563733 -0.267382 -0.283336
C 1.539870 1.067375 -1.987391
C -0.435596 1.364301 1.444561
C -2.912170 -1.552182 -1.314979
C -1.539622 2.770964 -0.214714
C -3.104189 -0.494992 0.877283
C 3.818387 0.335929 -0.483037
C 2.782435 1.692790 -2.220940
C 3.927257 1.334622 -1.473080
C -0.318076 2.477963 2.305357
C -4.014020 -2.381661 -1.016146
C -1.424803 3.884684 0.647839
C -4.207841 -1.326064 1.176203
C -0.815333 3.742634 1.914794
C -4.667456 -2.272277 0.233547
C 3.401734 -3.764941 -0.452656
H -0.110197 -1.369118 -1.588094
H 0.058973 -1.211078 0.163448
H 0.653394 1.350269 -2.562012
H -2.361248 0.973514 -2.288164
H -0.030564 0.398691 1.771104
H -2.412980 -1.635356 -2.286770
H -1.986784 2.906075 -1.205118
H -2.763913 0.236788 1.615583
H 4.671177 0.028352 0.131214
H 2.856627 2.468008 -2.991617
H 4.890280 1.823852 -1.651227
H 0.167320 2.353615 3.279883
H -4.362938 -3.111058 -1.756048
H -1.805135 4.861438 0.327320
H -4.708846 -1.230779 2.146073
H 1.717179 -3.743436 0.839940
H -0.722094 4.605397 2.584020
H -5.524127 -2.914322 0.467299
H 3.076211 -4.694239 -0.953602
H 4.193664 -4.003314 0.283954
H 3.818596 -3.094361 -1.222516


