%chk=000207977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207977

0 1
S -5.571097 -1.554019 0.194557
P -6.247215 0.132372 -0.772815
O 2.226138 -2.299086 -0.104371
O 2.199567 2.105649 1.323635
O -7.266270 0.721069 0.380312
O -7.300555 -0.514054 -1.870250
O -5.288543 1.097864 -1.350982
N 1.911070 -0.153231 0.781629
N -1.827303 -0.239106 1.159597
C 0.595469 -0.363068 1.425506
C -0.544035 -0.186293 0.398164
C 3.868544 -0.495067 -0.439201
C 3.860191 0.859749 -0.002886
C 2.616569 -1.172108 0.045345
C 2.603500 1.110766 0.781922
C -3.003707 -0.491292 0.267485
C 4.912737 -0.999457 -1.182882
C 4.895771 1.715276 -0.308813
C -4.167445 -0.885083 1.174927
C 5.978371 -0.122603 -1.499731
C 5.970064 1.200217 -1.073914
H 0.560519 -1.389693 1.860231
H 0.491688 0.360751 2.266809
H -0.411240 0.755005 -0.177017
H -0.508065 -1.019533 -0.339499
H -1.962274 0.647714 1.660818
H -2.758258 -1.325921 -0.429597
H -3.256864 0.389912 -0.370666
H 4.923544 -2.037334 -1.518466
H 4.893477 2.754023 0.024169
H -4.491911 -0.057566 1.832912
H -3.869513 -1.717693 1.852659
H 6.815461 -0.501656 -2.088380
H 6.800553 1.861012 -1.327931
H -7.735915 1.575774 0.194519
H -7.146723 -0.279494 -2.824895


%chk=000207977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207977

0 1
S -5.678694 -1.745345 0.249775
P -6.524186 0.303352 -0.218919
O 2.249820 -2.266143 0.134021
O 2.207808 2.372456 0.950285
O -8.177010 0.071316 0.182386
O -6.796596 0.471019 -1.931921
O -5.716267 1.509838 0.435329
N 1.915591 0.024134 0.688872
N -1.842609 -0.243262 0.947679
C 0.590080 -0.095296 1.309328
C -0.540344 -0.205606 0.257590
C 3.926195 -0.489434 -0.371244
C 3.913125 0.905896 -0.126963
C 2.646006 -1.073962 0.146048
C 2.624887 1.255968 0.554307
C -2.997103 -0.723022 0.166936
C 5.014408 -1.111838 -1.000229
C 4.987658 1.725222 -0.502932
C -4.116814 -1.118484 1.143357
C 6.107149 -0.291501 -1.385612
C 6.094084 1.105136 -1.140690
H 0.569962 -0.989494 1.954812
H 0.445135 0.804521 1.934476
H -0.442161 0.633085 -0.472417
H -0.414804 -1.150332 -0.301997
H -2.051321 0.639357 1.433552
H -2.682369 -1.608779 -0.414985
H -3.388619 0.029612 -0.559339
H 5.014135 -2.190890 -1.183179
H 4.966911 2.801832 -0.307194
H -4.423987 -0.265243 1.771187
H -3.808804 -1.957685 1.788241
H 6.974842 -0.741909 -1.879342
H 6.951958 1.712349 -1.448724
H -8.803467 0.566176 -0.408949
H -6.028299 0.820752 -2.450646


