%chk=000273776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273776

0 1
S -2.274067 0.773688 -1.368800
O -0.277784 -0.685445 -0.925939
O 1.701372 1.942884 1.486415
O 3.051934 -0.176495 -0.053998
O -0.621395 2.420280 -0.724233
O 1.727722 -3.343992 -1.073802
O 2.453548 3.695684 0.264079
O 3.832664 -1.259172 1.773837
O -1.020583 4.010691 0.838195
O 3.987555 -3.229322 -1.183424
N -3.349859 -0.529125 -1.634124
C 1.219817 1.258444 0.289877
C 1.703525 -0.187457 0.488360
C -0.308143 1.436410 0.311667
C 0.878629 -1.260162 -0.266020
C -1.071145 0.187233 -0.126523
C 1.591547 -1.940100 -1.441726
C 2.296814 3.189532 1.347262
C 4.065604 -0.777149 0.692833
C -0.939316 3.718161 -0.328950
C 2.645446 3.691260 2.700650
C 5.322167 -0.702352 -0.086849
C 2.992901 -3.877776 -0.951919
C -1.124797 4.542725 -1.547618
C -4.301155 -0.893118 -0.645023
C 2.873808 -5.296615 -0.525468
C -4.824743 -2.205266 -0.664188
C -4.769750 0.039608 0.300667
C -5.815196 -2.562854 0.249878
C -5.758321 -0.343182 1.207829
C -6.283398 -1.639436 1.190458
H 1.670516 1.720273 -0.626776
H 1.759848 -0.429998 1.582491
H -0.649303 1.825728 1.305530
H 0.511270 -2.027526 0.457969
H -1.519446 -0.369874 0.719923
H 2.577397 -1.497318 -1.687045
H 0.943728 -1.957222 -2.342048
H -2.998513 -1.287073 -2.224575
H 2.671068 2.888284 3.456103
H 3.625552 4.193006 2.696923
H 1.897860 4.429908 3.040418
H 5.422343 -1.614753 -0.716546
H 6.202792 -0.657021 0.570035
H 5.348441 0.156862 -0.775290
H -1.215236 3.932157 -2.462941
H -2.022399 5.175732 -1.467072
H -0.258237 5.212648 -1.692744
H 1.829285 -5.648913 -0.511038
H 3.446377 -5.958073 -1.195339
H 3.282878 -5.431537 0.490321
H -4.469658 -2.931885 -1.389831
H -4.384757 1.058158 0.318738
H -6.224550 -3.572755 0.231080
H -6.125133 0.379738 1.936784
H -7.052728 -1.926828 1.902028


%chk=000273776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273776

0 1
S -2.580314 1.027030 -1.571480
O -0.317639 -0.508846 -1.361810
O 1.801376 1.854156 1.290972
O 2.943406 -0.312954 -0.398992
O -0.592362 2.709782 -0.615245
O 1.700305 -3.421670 -0.440504
O 2.421701 3.674882 -0.043115
O 3.843684 -1.477928 1.418949
O -0.705955 3.967195 1.353260
O 3.794077 -3.513400 -1.475012
N -3.532463 -0.447097 -1.744038
C 1.159433 1.173913 0.133632
C 1.596180 -0.302231 0.234615
C -0.362150 1.458564 0.166295
C 0.606783 -1.268024 -0.487955
C -1.166691 0.331744 -0.507040
C 1.245221 -2.349847 -1.365742
C 2.378512 3.122793 1.076884
C 4.005915 -0.903447 0.319732
C -0.714482 3.918847 0.104909
C 2.872697 3.687719 2.384791
C 5.293842 -0.765233 -0.450853
C 3.014721 -3.898618 -0.574416
C -0.805300 5.077051 -0.853306
C -4.459059 -0.936968 -0.797369
C 3.332551 -4.872712 0.532810
C -5.067589 -2.204059 -1.033836
C -4.808901 -0.208564 0.372274
C -6.005499 -2.722126 -0.118168
C -5.749726 -0.742265 1.279323
C -6.354606 -1.999017 1.047375
H 1.560152 1.600105 -0.804435
H 1.720649 -0.606759 1.289092
H -0.702883 1.633252 1.203633
H 0.002101 -1.777205 0.295080
H -1.645886 -0.311069 0.259450
H 2.091950 -1.979760 -1.964306
H 0.468770 -2.783796 -2.016271
H -3.272633 -1.049743 -2.525039
H 3.292162 2.896966 3.026175
H 3.619444 4.472899 2.196040
H 2.012329 4.134885 2.916525
H 5.342194 -1.587191 -1.188892
H 6.149840 -0.854710 0.234545
H 5.329040 0.190580 -0.996018
H -1.395094 4.810024 -1.744251
H -1.238618 5.952054 -0.347163
H 0.219086 5.325301 -1.187797
H 2.436728 -5.432319 0.842229
H 4.129341 -5.559867 0.210998
H 3.695040 -4.294289 1.403191
H -4.806226 -2.773692 -1.934768
H -4.359805 0.774063 0.552158
H -6.465044 -3.697244 -0.316988
H -6.012542 -0.166044 2.174090
H -7.082971 -2.405812 1.756282


