%chk=000179439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179439

0 1
S -2.152467 -0.458826 0.602707
O -0.278744 -1.673905 0.770696
O -1.423759 1.813613 -0.597322
N 0.263704 0.268142 -0.267194
C 3.440418 0.663362 0.421918
C 2.301458 1.660723 0.189470
C 2.978735 -0.646347 1.070677
C 1.286249 1.183745 -0.856353
C 2.044077 -1.468796 0.176510
C 0.613566 -1.001272 0.268896
C -1.083514 0.736947 -0.175168
C -3.744325 0.444762 0.542614
C -4.811801 -0.552460 0.150669
H 4.206447 1.135160 1.071495
H 3.956938 0.449726 -0.534660
H 1.784942 1.881515 1.146259
H 2.725821 2.630616 -0.141862
H 2.484701 -0.436783 2.041807
H 3.867624 -1.262355 1.318648
H 0.750403 2.063377 -1.294296
H 1.789981 0.665003 -1.700467
H 2.072389 -2.538469 0.486982
H 2.392211 -1.456366 -0.876822
H -3.936705 0.884182 1.537689
H -3.687982 1.289598 -0.173107
H -4.632511 -0.979221 -0.846021
H -4.878967 -1.392301 0.855352
H -5.801789 -0.076568 0.123383


%chk=000179439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179439

0 1
S -2.317048 -0.717388 0.299313
O -0.027295 -2.097497 0.466904
O -1.377801 1.670180 -0.593644
N 0.321587 0.085096 -0.307313
C 3.439366 0.784517 0.638219
C 2.212190 1.672766 0.335376
C 3.098903 -0.657363 1.076364
C 1.288950 1.126958 -0.778620
C 2.278197 -1.465194 0.028033
C 0.774436 -1.202147 0.075657
C -1.051257 0.499519 -0.259366
C -3.820967 0.451203 0.108638
C -5.082137 -0.338077 0.485552
H 4.051822 1.266911 1.424673
H 4.076313 0.737390 -0.270053
H 1.608959 1.832980 1.249652
H 2.568525 2.671173 0.014739
H 2.551689 -0.648809 2.039486
H 4.043585 -1.204297 1.258672
H 0.669035 1.943177 -1.179538
H 1.884157 0.709627 -1.612000
H 2.380027 -2.544957 0.226020
H 2.682058 -1.271510 -0.985204
H -3.651823 1.319292 0.764686
H -3.835805 0.801597 -0.935118
H -5.225866 -1.212886 -0.173418
H -5.041635 -0.697132 1.529505
H -5.971064 0.311674 0.385286


