%chk=000289709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289709

0 1
S 6.514208 -0.080613 -0.075311
O 6.803131 0.405188 1.517561
O 7.047431 -1.418049 -0.123722
O 7.050578 0.957546 -0.910470
N -0.254611 1.131925 0.146738
N -0.257721 -1.111393 -0.199999
C -1.596937 0.725544 0.112090
C -1.578437 -0.670653 -0.105717
C 0.537683 -0.019225 -0.049185
C 2.002367 -0.018881 -0.073427
C -2.700786 1.669690 0.259688
C -2.706595 -1.595843 -0.222051
C 2.689871 -1.201255 0.254735
C 2.721608 1.138071 -0.423117
C 4.799311 -0.062159 -0.084520
C -2.726118 2.575807 1.332888
C -3.743394 1.668999 -0.682613
C 4.084487 -1.219423 0.248225
C 4.117181 1.111177 -0.425424
C -2.621001 -2.700141 -1.087898
C -3.873439 -1.392097 0.534085
C -3.785451 3.478657 1.454674
C -4.798258 2.574656 -0.551902
C -3.698422 -3.581249 -1.202795
C -4.946023 -2.278456 0.412847
C -4.819949 3.481247 0.513484
C -4.862284 -3.371418 -0.455918
H 0.064483 2.072897 0.292080
H 2.123000 -2.104138 0.505481
H 2.204897 2.050468 -0.712881
H -1.933475 2.565063 2.078555
H -3.727096 0.956677 -1.508963
H 4.617118 -2.145080 0.499428
H 4.676926 2.012430 -0.704541
H -1.707047 -2.868037 -1.660131
H -3.940091 -0.546858 1.218424
H -3.806552 4.179879 2.288113
H -5.606663 2.573474 -1.282667
H -3.629280 -4.435581 -1.874321
H -5.848641 -2.118466 1.000097
H -5.643827 4.186719 0.611371
H -5.699941 -4.059940 -0.547696
H 7.638759 0.114639 1.908703


%chk=000289709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289709

0 1
S 6.584267 -0.052806 -0.123614
O 6.821345 -0.370728 1.695500
O 7.109473 -1.350682 -0.935512
O 7.159348 1.421382 -0.465948
N -0.345332 1.150293 0.171047
N -0.299730 -1.070486 -0.172619
C -1.687545 0.749805 0.116203
C -1.635336 -0.656402 -0.087995
C 0.469791 0.034858 -0.015364
C 1.931892 0.050696 -0.031012
C -2.767770 1.748046 0.208995
C -2.721582 -1.655055 -0.162610
C 2.619449 -1.184166 -0.216123
C 2.684883 1.249970 0.125054
C 4.721291 -0.018091 -0.075210
C -2.659979 2.842451 1.114266
C -3.911002 1.672267 -0.634590
C 4.024133 -1.228875 -0.236882
C 4.092501 1.224036 0.107213
C -2.488226 -2.872482 -0.859723
C -3.977749 -1.464557 0.476049
C -3.664225 3.832336 1.172442
C -4.915919 2.658995 -0.568637
C -3.490164 -3.861778 -0.935337
C -4.978702 -2.456284 0.398958
C -4.797653 3.744842 0.331656
C -4.743181 -3.657363 -0.310377
H -0.045122 2.120120 0.260538
H 2.024466 -2.093908 -0.335574
H 2.186925 2.216382 0.263380
H -1.808133 2.897791 1.803644
H -3.999585 0.845912 -1.347057
H 4.564818 -2.168232 -0.386886
H 4.686008 2.136931 0.215374
H -1.511021 -3.026971 -1.327717
H -4.166650 -0.552255 1.050885
H -3.568273 4.662890 1.880312
H -5.787721 2.586387 -1.227934
H -3.294405 -4.792613 -1.479344
H -5.938765 -2.296113 0.902438
H -5.579064 4.510958 0.377712
H -5.521811 -4.426096 -0.367898
H 7.805055 -0.469605 1.856292


