%chk=000217520.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217520

0 1
S -7.456731 1.062335 0.537396
S -8.055943 -0.898933 0.688558
O 2.659633 -2.008289 -1.022080
O 2.657575 2.574467 -0.417276
O -6.788883 -1.443088 1.646737
O -9.217900 -0.988743 1.507513
O -7.920538 -1.544165 -0.571337
N 2.652063 0.279462 -0.733915
N 4.472799 1.438148 0.417305
N 5.382316 -2.022687 0.451121
N -3.627028 0.543643 -0.728148
N 6.310430 -0.075206 1.213399
C 0.185816 0.410380 -0.358530
C 1.312175 0.382550 -1.401140
C -1.182294 0.422077 -1.048090
C 4.497613 -0.988575 0.109097
C -2.315490 0.480560 -0.010565
C 3.230047 -1.027946 -0.582073
C 5.101349 0.207333 0.594442
C 3.214941 1.505379 -0.256132
C -4.782407 0.540326 0.222958
C 6.453665 -1.439786 1.109690
C 5.109822 2.679612 0.920095
C 5.173112 -3.438358 0.146514
C -6.017607 0.954267 -0.574419
H 0.298047 1.306530 0.286537
H 0.269287 -0.466661 0.313426
H 1.296184 1.307906 -2.022646
H 1.201076 -0.492494 -2.084409
H -1.264112 1.294736 -1.729511
H -1.293792 -0.474056 -1.689292
H -2.216593 1.404277 0.603374
H -2.242111 -0.380335 0.688758
H -3.709666 -0.254299 -1.369617
H -4.583944 1.275742 1.036487
H -4.938245 -0.445217 0.723442
H 7.305018 -1.984451 1.498748
H 6.096656 2.821861 0.444055
H 5.257730 2.616564 2.013067
H 4.471700 3.555041 0.692748
H 5.129645 -4.043049 1.070179
H 4.206966 -3.580162 -0.394720
H 5.977805 -3.829842 -0.501746
H -5.880001 1.963743 -1.022857
H -6.221566 0.268363 -1.423006
H -7.016318 -1.996658 2.412263


%chk=000217520-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217520

0 1
S -7.533623 1.276465 0.645229
S -8.345099 -1.048332 0.326956
O 2.601190 -2.077622 -0.855351
O 2.742400 2.625681 -0.522216
O -7.840397 -1.680922 2.006704
O -9.944215 -1.252188 0.193849
O -7.375492 -1.738997 -0.780082
N 2.716292 0.281930 -0.701922
N 4.622076 1.440437 0.227870
N 5.473509 -2.016889 0.401544
N -3.604914 0.577266 -0.434983
N 6.469806 -0.033443 0.968199
C 0.249635 0.423931 -0.219194
C 1.354669 0.377003 -1.295809
C -1.153266 0.494196 -0.860178
C 4.574823 -0.994160 0.054304
C -2.273027 0.543119 0.196816
C 3.256081 -1.037549 -0.523543
C 5.218021 0.202219 0.415532
C 3.329467 1.520555 -0.339928
C -4.771883 0.693379 0.449195
C 6.584792 -1.388935 0.938958
C 5.326710 2.675539 0.625633
C 5.269533 -3.464601 0.200279
C -6.007445 1.026196 -0.404550
H 0.412258 1.309179 0.424578
H 0.326871 -0.478434 0.417612
H 1.325086 1.291288 -1.911443
H 1.225580 -0.512659 -1.934993
H -1.234451 1.388698 -1.507515
H -1.303055 -0.392465 -1.512145
H -2.164406 1.456373 0.814943
H -2.164375 -0.326604 0.891194
H -3.722179 -0.122726 -1.179579
H -4.580042 1.511144 1.170020
H -4.979968 -0.224796 1.047302
H 7.453008 -1.937939 1.296047
H 6.274656 2.764346 0.069398
H 5.552937 2.650358 1.704608
H 4.667634 3.524254 0.393408
H 5.427373 -4.005987 1.147938
H 4.236180 -3.620441 -0.145607
H 5.966376 -3.850206 -0.563540
H -5.866296 1.946669 -1.001353
H -6.230514 0.194325 -1.105015
H -8.370012 -2.516351 2.177228


