%chk=000218551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218551

0 1
S 0.256449 3.680284 0.995502
S -0.259557 3.682943 -0.984304
O -0.962212 -0.889093 1.329415
O -5.063789 0.959736 0.248262
O 0.964079 -0.885053 -1.333370
O 5.062203 0.966927 -0.244522
N -2.984009 0.255726 1.061072
N 2.984046 0.261924 -1.060640
C -2.862374 1.209924 2.188621
C 2.861474 1.219261 -2.185422
C -2.111701 2.488504 1.774307
C 2.109606 2.495919 -1.767357
C -2.412930 -1.244451 -0.630314
C -3.694757 -0.707583 -0.944072
C 2.414362 -1.244062 0.626040
C 3.695186 -0.706133 0.942071
C -1.949884 -0.663654 0.672771
C -4.082122 0.278010 0.120944
C 1.951113 -0.660147 -0.675576
C 4.081573 0.283240 -0.119793
C -0.604434 2.293088 1.776796
C 0.602556 2.298854 -1.769718
C -1.779055 -2.124248 -1.479343
C -4.363294 -1.079387 -2.088759
C 1.781416 -2.127360 1.472123
C 4.363721 -1.080315 2.085983
C -2.464308 -2.507810 -2.658562
C -3.725509 -2.005162 -2.951344
C 2.466672 -2.513385 2.650540
C 3.726942 -2.009658 2.945468
H -3.892423 1.468717 2.531211
H -2.345722 0.695847 3.030709
H 3.891253 1.479992 -2.527330
H 2.345229 0.707137 -3.028949
H -2.395078 3.313627 2.460609
H -2.470177 2.818169 0.773752
H 2.391784 3.323191 -2.451561
H 2.468168 2.823303 -0.766079
H -0.204544 2.238747 2.811846
H -0.312064 1.336706 1.295549
H 0.202294 2.246895 -2.804760
H 0.311449 1.340850 -1.290945
H -0.769942 -2.490607 -1.268579
H -5.345982 -0.674281 -2.332319
H 0.772993 -2.494624 1.259767
H 5.345642 -0.674391 2.331266
H -1.980331 -3.205411 -3.344013
H -4.239137 -2.314446 -3.862948
H 1.983437 -3.213787 3.333652
H 4.240588 -2.320874 3.856404


%chk=000218551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218551

0 1
S 0.412041 3.660077 1.063419
S -0.415209 3.661202 -1.055232
O -1.117042 -1.194144 1.352908
O -4.891268 1.322734 0.090931
O 1.118053 -1.192073 -1.356247
O 4.890116 1.324571 -0.087315
N -2.950660 0.281203 0.992155
N 2.950360 0.283918 -0.991393
C -2.837730 1.117904 2.198747
C 2.836708 1.123813 -2.195708
C -2.048990 2.429035 1.934618
C 2.046900 2.433622 -1.928193
C -2.545658 -1.279410 -0.690044
C -3.696431 -0.540089 -1.059388
C 2.546848 -1.281870 0.686371
C 3.696957 -0.542541 1.057768
C -2.072494 -0.785508 0.642410
C -3.973196 0.470245 0.009744
C 2.073242 -0.784666 -0.644696
C 3.972715 0.471137 -0.008452
C -0.540281 2.183121 1.785591
C 0.538396 2.186158 -1.779607
C -2.012643 -2.271571 -1.525675
C -4.370671 -0.787180 -2.263836
C 2.014780 -2.276880 1.519221
C 4.371495 -0.792404 2.261472
C -2.689112 -2.530062 -2.746549
C -3.852339 -1.804347 -3.107868
C 2.691538 -2.538163 2.739344
C 3.854121 -1.812411 3.102663
H -3.863961 1.365805 2.522180
H -2.350670 0.509591 2.981889
H 3.862741 1.373422 -2.518443
H 2.350184 0.517214 -2.980510
H -2.235409 3.132865 2.767068
H -2.446439 2.899970 1.016383
H 2.232596 3.139564 -2.759015
H 2.444089 2.902757 -1.008928
H -0.048392 2.013754 2.761963
H -0.322112 1.309238 1.152206
H 0.046722 2.017958 -2.756288
H 0.320904 1.311082 -1.147636
H -1.095954 -2.800625 -1.251801
H -5.259221 -0.210008 -2.538048
H 1.098575 -2.806010 1.243882
H 5.259526 -0.215185 2.537257
H -2.300843 -3.295453 -3.426884
H -4.351391 -2.026815 -4.057177
H 2.303997 -3.305830 3.417526
H 4.353412 -2.037116 4.051317


