%chk=000299467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299467

0 1
S 4.346657 -0.506969 -0.314509
O 4.152627 -1.848104 -0.832168
O 5.466872 0.293396 -0.774569
N 4.527571 -0.660888 1.396196
C -0.870170 0.303852 -0.169240
C -1.099222 -1.103430 -0.381064
C 0.483823 0.817732 -0.433816
C -1.922639 1.093499 0.297919
C 1.597205 -0.072657 -0.451989
C -2.389294 -1.631410 -0.365300
C -3.258316 0.574140 0.294642
C -3.498522 -0.776100 -0.079012
C 2.904555 0.450369 -0.524468
C 0.063843 -1.968096 -0.535285
C 1.328127 -1.500973 -0.496502
C 0.714622 2.171248 -0.751770
C -1.696173 2.462304 0.861254
C 3.100809 1.809897 -0.760944
C -2.644684 -3.082054 -0.629237
C -4.386167 1.397033 0.641886
C -4.854323 -1.251958 -0.129454
C 2.004924 2.666155 -0.915341
C -5.664729 0.913126 0.591482
C -5.904616 -0.436296 0.192828
C 4.812502 0.601505 2.115820
C 3.539685 -1.532322 2.071137
H -0.128084 -3.040505 -0.660246
H 2.177134 -2.196113 -0.592259
H -0.131408 2.846457 -0.907458
H -0.733159 2.530289 1.389632
H -1.709690 3.232840 0.076104
H -2.463599 2.740439 1.599486
H 4.117829 2.214880 -0.854527
H -3.180488 -3.554295 0.207036
H -3.250927 -3.216936 -1.537692
H -1.721933 -3.663935 -0.781246
H -4.203233 2.429651 0.943191
H -5.038212 -2.281057 -0.436431
H 2.163825 3.713093 -1.167803
H -6.515280 1.542421 0.848765
H -6.931159 -0.796274 0.151477
H 5.640038 1.133053 1.605459
H 5.170355 0.373068 3.135584
H 3.948050 1.278539 2.203282
H 3.874554 -1.745304 3.101682
H 3.497551 -2.507265 1.546950
H 2.522768 -1.110147 2.124922


%chk=000299467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299467

0 1
S 4.473641 -0.558495 -0.358967
O 4.262889 -2.078397 -0.899222
O 5.667693 0.384479 -0.931740
N 4.860848 -0.736212 1.495543
C -0.939044 0.317295 -0.141777
C -1.167880 -1.115236 -0.349356
C 0.429553 0.835515 -0.364784
C -2.023017 1.139022 0.277896
C 1.552277 -0.081521 -0.387739
C -2.483967 -1.652927 -0.375827
C -3.361437 0.607378 0.231528
C -3.596288 -0.776516 -0.144754
C 2.856448 0.483699 -0.513574
C -0.002003 -1.975032 -0.450634
C 1.290951 -1.506991 -0.395310
C 0.687581 2.207117 -0.666596
C -1.832979 2.520614 0.895176
C 3.104354 1.840942 -0.738592
C -2.765153 -3.123524 -0.643038
C -4.503079 1.434298 0.526274
C -4.953860 -1.251511 -0.212754
C 1.987548 2.703235 -0.859300
C -5.805131 0.942489 0.445409
C -6.034100 -0.418773 0.072083
C 5.072728 0.596216 2.106433
C 3.863011 -1.595034 2.172994
H -0.146838 -3.053312 -0.547400
H 2.135549 -2.197823 -0.467334
H -0.151520 2.888513 -0.813206
H -0.799883 2.673766 1.241209
H -2.085567 3.350182 0.205415
H -2.488920 2.625846 1.777142
H 4.131382 2.195918 -0.871914
H -3.282234 -3.596455 0.213135
H -3.423436 -3.240971 -1.524351
H -1.860177 -3.710722 -0.846805
H -4.352515 2.483921 0.792423
H -5.144177 -2.290763 -0.494685
H 2.140669 3.757015 -1.112358
H -6.655000 1.599421 0.660529
H -7.058226 -0.802537 0.009190
H 5.746942 1.181276 1.459454
H 5.583750 0.434385 3.072957
H 4.134643 1.166710 2.291391
H 4.297712 -1.893218 3.144635
H 3.711733 -2.508662 1.575539
H 2.884430 -1.098724 2.360065


