%chk=000217027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217027

0 1
S 3.389589 0.194656 0.467385
O 4.006781 0.269297 -0.848411
O 3.925532 0.993305 1.554128
N -2.370363 1.251345 -0.001248
N -4.740144 -0.425198 -0.127528
N -0.479830 0.650231 1.301453
N 3.492496 -1.420659 1.067876
C -3.244711 1.054175 1.192320
C -3.140583 1.087311 -1.266620
C -3.950479 -0.315476 1.144530
C -3.837576 -0.288458 -1.318778
C -1.025803 0.892313 0.044748
C -5.470776 -1.725803 -0.176372
C -0.203872 0.889114 -1.122930
C 1.710307 0.448683 0.287515
C 1.156637 0.676140 -0.983519
C 0.848254 0.451630 1.399075
C 3.514614 -2.534436 0.087406
C 4.829142 -2.653991 -0.681734
H -3.994992 1.878549 1.188682
H -2.653313 1.152126 2.131888
H -2.484690 1.226890 -2.152728
H -3.903635 1.902314 -1.295293
H -3.205357 -1.130021 1.273682
H -4.661296 -0.389109 1.996434
H -4.466906 -0.345344 -2.233787
H -3.080876 -1.098423 -1.393383
H -4.832929 -2.621556 -0.153250
H -6.085144 -1.759240 -1.090964
H -6.168173 -1.775381 0.676418
H -0.639692 1.073979 -2.100901
H 1.810147 0.683604 -1.866736
H 1.229436 0.280250 2.419620
H 4.169064 -1.570327 1.829174
H 3.310076 -3.478442 0.644631
H 2.666789 -2.403106 -0.622799
H 5.036075 -1.737208 -1.263564
H 5.686187 -2.813109 -0.019780
H 4.802214 -3.485827 -1.392640


%chk=000217027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217027

0 1
S 3.603939 0.303025 0.484270
O 4.239781 0.526513 -1.011315
O 4.084218 1.206074 1.752873
N -2.374639 0.647907 -0.043556
N -5.127018 -0.203539 -0.100170
N -0.438112 0.421317 1.264911
N 3.836338 -1.454726 1.108324
C -3.197750 0.681764 1.187424
C -3.167909 0.767811 -1.281188
C -4.307446 -0.382464 1.123648
C -4.282645 -0.300843 -1.310682
C -0.993449 0.578295 0.005307
C -6.287526 -1.114120 -0.145884
C -0.160295 0.669384 -1.165731
C 1.756811 0.383690 0.271306
C 1.229423 0.567352 -1.023392
C 0.906054 0.330138 1.390105
C 4.049465 -2.473709 0.040819
C 5.465038 -2.515154 -0.572143
H -3.665055 1.683484 1.276457
H -2.531199 0.514027 2.045822
H -2.530686 0.645192 -2.169420
H -3.635047 1.772942 -1.322169
H -3.843246 -1.401260 1.164781
H -4.962727 -0.272074 2.007400
H -4.915424 -0.132467 -2.202155
H -3.810468 -1.313143 -1.409871
H -6.001947 -2.195620 -0.179201
H -6.898889 -0.893249 -1.039114
H -6.917964 -0.954307 0.746686
H -0.581386 0.834295 -2.159391
H 1.904815 0.644815 -1.881815
H 1.302603 0.213796 2.403805
H 4.645469 -1.367313 1.755708
H 3.795422 -3.444595 0.510695
H 3.291637 -2.298354 -0.745611
H 5.693513 -1.560461 -1.075442
H 6.228626 -2.699231 0.207373
H 5.539874 -3.330396 -1.315465


