%chk=000299343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299343

0 1
S 4.647798 -0.271639 1.744873
P 3.107983 0.124335 0.689997
O 2.728978 1.689861 0.389943
O 3.112485 -0.406116 -0.869543
O -4.534269 -0.888947 0.351820
O -3.973532 -0.200528 -1.727301
N 1.675661 -0.473508 1.471100
C 0.370787 -0.435689 0.932003
C -0.701471 -0.798950 1.784858
C 0.113679 -0.091353 -0.414549
C -2.257777 -0.475670 -0.045963
C -2.000560 -0.816057 1.293169
C -1.191453 -0.111172 -0.889525
C 3.797187 2.505743 -0.205491
C 3.620202 -1.742233 -1.152123
C -3.620737 -0.482935 -0.602162
C 3.130883 3.858728 -0.355107
C 2.637739 -2.812184 -0.721547
C -5.945370 -0.920412 -0.029632
C -6.516125 0.482447 -0.001934
H 1.745837 -0.751430 2.471319
H -0.514849 -1.060454 2.823451
H 0.920934 0.195972 -1.093541
H -2.834823 -1.094010 1.945326
H -1.402927 0.156814 -1.930452
H 4.661392 2.539260 0.486653
H 4.083099 2.068598 -1.181111
H 3.709714 -1.680228 -2.258012
H 4.626862 -1.873832 -0.709983
H 3.810615 4.595048 -0.798649
H 2.234413 3.793079 -0.988550
H 2.794434 4.245478 0.617817
H 2.808094 -3.747361 -1.271233
H 2.706206 -3.057096 0.346474
H 1.597909 -2.508736 -0.920528
H -6.358320 -1.576242 0.757923
H -6.031375 -1.393900 -1.024184
H -7.603725 0.477127 -0.135168
H -6.294134 0.989561 0.945493
H -6.086742 1.098629 -0.806931


%chk=000299343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299343

0 1
S 4.720196 -0.355399 1.915027
P 3.089571 0.071551 0.715667
O 2.716807 1.707351 0.315747
O 3.132241 -0.564551 -0.905210
O -4.718925 -0.861047 0.343983
O -4.095641 -0.007666 -1.740570
N 1.595007 -0.437008 1.438095
C 0.279960 -0.406157 0.915450
C -0.783454 -0.848135 1.753112
C -0.007394 0.036710 -0.405171
C -2.398011 -0.408583 -0.036190
C -2.106463 -0.847658 1.281577
C -1.333214 0.031151 -0.866290
C 3.787615 2.533481 -0.323071
C 3.874249 -1.834864 -1.162655
C -3.777888 -0.388696 -0.584037
C 3.235594 3.953297 -0.398659
C 3.105989 -3.063797 -0.671475
C -6.143052 -0.855983 -0.102506
C -6.790450 0.507210 0.159823
H 1.700943 -0.751371 2.406510
H -0.567593 -1.188021 2.773512
H 0.800017 0.378773 -1.057050
H -2.923722 -1.184880 1.924726
H -1.569838 0.369424 -1.880506
H 4.698785 2.475405 0.303545
H 4.002426 2.116132 -1.324194
H 3.986065 -1.831228 -2.259327
H 4.872474 -1.763632 -0.689252
H 3.980695 4.618946 -0.872156
H 2.310252 3.981065 -0.998585
H 3.010379 4.338435 0.609955
H 3.634625 -3.982335 -0.988320
H 3.036802 -3.076302 0.430725
H 2.085935 -3.085500 -1.091381
H -6.606750 -1.656417 0.496577
H -6.176493 -1.113475 -1.175799
H -7.865673 0.466250 -0.096333
H -6.698757 0.789159 1.223073
H -6.318607 1.288364 -0.459366


