%chk=000257009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257009

0 1
S 0.986734 -0.029524 -0.549452
O -3.861568 -0.542293 0.907688
O -1.655100 1.947502 1.068633
O -2.941613 -1.809753 -0.805990
O -5.901669 1.076369 -0.417869
O 0.732911 1.297183 -0.013533
O 1.379969 -0.194358 -1.927877
N -0.471527 -0.935772 -0.380298
C -1.516843 -0.432644 0.520349
C -2.131669 0.964755 0.160587
C -3.644727 0.827462 0.449247
C -2.756814 -1.370307 0.542625
C -4.520727 1.042201 -0.790414
C 2.077648 -0.905770 0.511133
C 3.459079 -0.327564 0.453186
C -4.023247 -2.746525 -0.992373
C 4.026799 0.255161 1.595652
C 4.194817 -0.386971 -0.741703
C 5.325346 0.771092 1.541699
C 5.490659 0.130818 -0.786474
C 6.059784 0.707972 0.354210
H -1.102452 -0.360406 1.563397
H -1.905786 1.273162 -0.879888
H -3.967933 1.452736 1.313173
H -2.757964 -2.205634 1.259725
H -0.872420 -1.362782 -1.238160
H -4.365386 0.238063 -1.535959
H -4.357537 2.035027 -1.251857
H -0.706126 2.193888 0.834835
H 1.700706 -0.923127 1.558212
H 2.122036 -1.988732 0.244551
H -4.956787 -2.325167 -0.604379
H -3.780889 -3.697563 -0.510270
H -4.063804 -2.855167 -2.082964
H -6.124154 0.265537 0.094147
H 3.461006 0.316095 2.523240
H 3.750392 -0.817993 -1.643235
H 5.762932 1.226276 2.429545
H 6.057695 0.087588 -1.716216
H 7.070226 1.111067 0.314876


%chk=000257009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257009

0 1
S 0.984518 0.022472 -0.512418
O -3.979946 -0.593589 0.948466
O -1.718797 2.095328 0.894744
O -2.985075 -1.741876 -0.945625
O -6.135227 0.950664 -0.130897
O 0.826013 1.449763 0.290993
O 1.356514 -0.013288 -2.094935
N -0.562589 -0.978565 -0.288866
C -1.644550 -0.412617 0.540248
C -2.272105 0.981349 0.153982
C -3.761940 0.849817 0.546585
C -2.857822 -1.371732 0.463021
C -4.757322 1.193354 -0.566111
C 2.309922 -1.082398 0.518756
C 3.652585 -0.454806 0.468016
C -4.032770 -2.739781 -1.204857
C 4.040647 0.491498 1.455859
C 4.557327 -0.783388 -0.578718
C 5.318982 1.083884 1.407024
C 5.834607 -0.188363 -0.625364
C 6.218515 0.743244 0.368558
H -1.317394 -0.343222 1.592519
H -2.157769 1.119875 -0.945124
H -3.964057 1.443730 1.452612
H -2.791225 -2.273132 1.099460
H -0.896515 -1.238610 -1.237311
H -4.515869 0.607392 -1.478107
H -4.700268 2.270115 -0.799041
H -0.730589 2.123092 0.693996
H 1.823062 -1.094599 1.504638
H 2.205761 -2.042662 -0.007202
H -5.027993 -2.348420 -0.924724
H -3.831614 -3.675197 -0.645073
H -4.000664 -2.938868 -2.286463
H -6.155059 0.047514 0.281192
H 3.335798 0.765817 2.248863
H 4.252604 -1.494921 -1.354588
H 5.613433 1.811852 2.170208
H 6.527584 -0.443980 -1.433813
H 7.211284 1.205155 0.331298


