%chk=000217080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217080

0 1
S -1.231497 -0.350517 1.788091
S 1.480142 -0.463666 -0.741269
S 4.301432 0.439810 -1.458837
P -1.825221 0.103505 -0.165853
O -2.319912 1.662134 -0.046614
O -3.203150 -0.723532 -0.441232
O -0.751819 -0.228822 -1.146892
N 2.404106 -1.035422 1.607932
N 3.456332 -0.544500 0.928998
C 0.014867 -1.661504 1.428664
C -1.381474 2.682729 -0.513334
C -4.370131 -0.509082 0.403059
C 1.266739 -1.088560 0.918374
C -0.376509 3.017639 0.568587
C -5.049009 0.808290 0.092606
C 3.170396 -0.208340 -0.332026
C 5.833598 0.557418 -0.518721
H 0.183902 -2.170294 2.411841
H -0.397063 -2.438525 0.747831
H -2.083484 3.520495 -0.707317
H -0.905960 2.369165 -1.463287
H -4.100835 -0.617877 1.470079
H -4.988118 -1.379637 0.091351
H 0.051167 4.017247 0.415950
H -0.839534 3.012917 1.566551
H 0.470117 2.317131 0.605334
H -6.046764 0.857554 0.545377
H -4.481023 1.678899 0.459746
H -5.170565 0.950331 -0.991076
H 6.152288 -0.422237 -0.134351
H 5.732266 1.226141 0.347148
H 6.612915 0.948811 -1.183610


%chk=000217080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217080

0 1
S -1.073985 -0.505364 1.439609
S 1.900331 -0.101146 -1.003303
S 4.886114 0.870165 -1.000188
P -2.162786 0.095785 -0.528301
O -2.471867 1.789035 -0.366389
O -3.750676 -0.550174 -0.463737
O -1.352520 -0.372342 -1.815847
N 2.503775 -1.462854 1.223760
N 3.701951 -0.822593 0.855077
C 0.117668 -1.771470 0.605122
C -1.446980 2.771651 -0.857113
C -4.579963 -0.513413 0.780249
C 1.482537 -1.213720 0.406857
C -0.517215 3.216572 0.272401
C -5.327818 0.811679 0.932690
C 3.567388 -0.084324 -0.251976
C 6.280262 0.447081 0.201820
H 0.158809 -2.620368 1.303480
H -0.350180 -2.067804 -0.347267
H -2.064512 3.604601 -1.232221
H -0.893155 2.322564 -1.702623
H -3.932771 -0.732805 1.652790
H -5.271362 -1.359054 0.630324
H 0.144507 4.024147 -0.093786
H -1.098001 3.607800 1.125182
H 0.115418 2.386465 0.629104
H -5.985468 0.759957 1.821183
H -4.629056 1.655894 1.056236
H -5.955990 1.007180 0.047264
H 6.457294 -0.636821 0.187250
H 6.000171 0.770237 1.213484
H 7.156281 1.001138 -0.168032


