%chk=000271682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271682

0 1
S 1.482954 0.801389 -1.156673
O -1.887636 0.247534 -2.551306
O 0.068403 0.251624 1.812625
O 0.843305 1.908337 -0.454111
O 1.715606 0.891551 -2.581951
O -3.260361 3.187724 0.687098
N 0.334394 -0.486821 -0.922232
N -2.611591 1.680308 -0.938072
N -1.650821 1.640162 1.284212
N 6.452421 -1.044545 1.406268
C -0.984633 -0.196393 -0.339911
C -1.711355 -1.515330 -0.051469
C -1.838765 0.586688 -1.388966
C -0.752084 0.586990 0.982778
C -2.553340 2.256279 0.365474
C -2.219277 -2.265444 -1.125971
C -1.843792 -2.011591 1.252333
C 2.904214 0.271019 -0.397487
C -3.456186 2.398907 -1.936700
C -1.445902 2.361069 2.575625
C -2.873152 -3.476730 -0.894470
C -2.502120 -3.224723 1.479822
C 4.029564 -0.041532 -1.183721
C 2.985948 0.148988 1.000262
C -3.021228 -3.958284 0.410417
C 5.213334 -0.463010 -0.602345
C 4.158299 -0.270555 1.611323
C 5.287195 -0.585839 0.812146
H 0.298616 -1.256593 -1.604956
H -2.112471 -1.904598 -2.155118
H -1.423704 -1.476845 2.107427
H -3.777639 1.699447 -2.729631
H -2.884457 3.218646 -2.405781
H -4.348098 2.825280 -1.443717
H -0.625355 3.094749 2.482868
H -1.182691 1.638446 3.367413
H -2.370020 2.894848 2.862292
H -3.268260 -4.046510 -1.734981
H -2.604261 -3.597850 2.498355
H 3.968345 0.056009 -2.276970
H 2.110710 0.389374 1.624768
H -3.535062 -4.901227 0.590542
H 6.073312 -0.701586 -1.220623
H 4.204093 -0.363946 2.692459
H 7.292024 -1.166947 0.869131
H 6.558825 -1.037071 2.405021


%chk=000271682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271682

0 1
S 1.532055 0.635511 -1.290528
O -1.566492 0.205986 -2.696225
O 0.017124 0.167081 1.830287
O 0.794726 1.951152 -0.638199
O 1.890519 0.597519 -2.877915
O -3.321420 3.110709 0.491677
N 0.318624 -0.802600 -0.844567
N -2.490682 1.630420 -1.100021
N -1.727189 1.545605 1.190554
N 6.684501 -0.674031 1.599167
C -0.992259 -0.264994 -0.378511
C -1.848125 -1.526737 -0.049806
C -1.680118 0.559762 -1.491783
C -0.806122 0.516084 0.943737
C -2.561267 2.146794 0.216939
C -3.098629 -1.773869 -0.666736
C -1.331509 -2.453886 0.891815
C 3.091887 0.201345 -0.367171
C -3.245638 2.378789 -2.136244
C -1.693868 2.165356 2.538327
C -3.832432 -2.934285 -0.332064
C -2.067783 -3.611501 1.217657
C 4.249445 -0.001396 -1.141925
C 3.081615 0.113497 1.037480
C -3.321548 -3.855194 0.609196
C 5.453433 -0.293350 -0.480165
C 4.290070 -0.181587 1.689782
C 5.493550 -0.386169 0.944980
H 0.168343 -1.271238 -1.766226
H -3.502687 -1.085048 -1.415041
H -0.360313 -2.255821 1.354456
H -3.175789 1.809155 -3.073612
H -2.803777 3.379036 -2.275018
H -4.292397 2.495218 -1.816999
H -0.762368 2.742237 2.663748
H -1.724739 1.371705 3.300421
H -2.562162 2.832026 2.627687
H -4.799194 -3.119313 -0.812715
H -1.662600 -4.324252 1.944163
H 4.199893 0.075889 -2.232748
H 2.153210 0.247193 1.601684
H -3.892030 -4.755501 0.862824
H 6.368059 -0.450571 -1.063116
H 4.306752 -0.259966 2.782925
H 7.544694 -0.820612 1.078645
H 6.721938 -0.734747 2.612685


