%chk=000224560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224560

0 1
S 3.884367 0.770865 1.310002
S 3.826310 -2.993921 -1.070535
O 5.089542 1.553716 1.126642
O 3.510139 0.327872 2.624916
O -3.590114 -2.319188 -1.945752
O -1.765013 -1.425606 -1.222401
N 4.301380 -0.665686 0.367514
N -1.040503 0.958336 0.433399
N -0.574807 2.948875 -1.861598
N -2.090842 1.128710 -0.228535
N 2.042471 -1.399195 -0.025806
N -2.979170 -1.534554 -1.234972
C 2.574939 1.472020 0.490465
C 1.273991 1.055835 0.767761
C 0.177036 1.538102 0.011460
C 2.803808 2.424902 -0.528904
C 0.424079 2.461868 -1.061445
C 1.763672 2.919377 -1.281956
C 3.364617 -1.538053 -0.132361
C -3.306394 0.510400 0.233111
C -3.783924 -0.692151 -0.329554
C -4.127137 1.230310 1.126958
C -5.087311 -1.139486 -0.023980
C -5.402629 0.766512 1.431116
C -5.888666 -0.416416 0.849866
C 2.137960 -3.367478 -1.312004
C 1.358682 -2.431663 -0.703081
H 1.075478 0.339721 1.585830
H 3.829967 2.771098 -0.715871
H 1.955809 3.652520 -2.062119
H 5.292326 -0.900881 0.218888
H -0.367045 3.558153 -2.635642
H -1.525608 2.601136 -1.806615
H -3.750053 2.149094 1.578773
H -5.453148 -2.065058 -0.485734
H -6.032016 1.324545 2.128156
H -6.892668 -0.767226 1.088778
H 1.832966 -4.230125 -1.875287
H 0.266408 -2.385380 -0.692384


%chk=000224560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224560

0 1
S 3.871599 1.023403 0.878263
S 5.388032 -3.065125 1.064223
O 5.027330 2.141086 0.604446
O 3.426006 0.566267 2.375120
O -6.146183 2.354755 -1.879047
O -3.944883 2.274326 -2.410797
N 4.572058 -0.596701 -0.169070
N -1.222233 0.724888 0.051540
N -1.039137 2.573153 -2.277423
N -2.325232 1.068482 -0.600794
N 2.917910 -2.261864 0.328155
N -4.954098 1.881893 -1.703795
C 2.352250 1.487699 -0.083839
C 1.130014 0.949773 0.298405
C -0.044756 1.312333 -0.423384
C 2.500847 2.378739 -1.179814
C 0.066009 2.225513 -1.561790
C 1.365071 2.741352 -1.901536
C 4.177430 -1.820808 0.310461
C -3.511550 0.447961 -0.126161
C -4.784148 0.838238 -0.660204
C -3.500104 -0.560754 0.883013
C -5.981820 0.241263 -0.195482
C -4.687770 -1.157243 1.331898
C -5.937612 -0.757566 0.791489
C 3.986129 -4.145867 1.284253
C 2.806435 -3.532218 0.872870
H 1.038205 0.259176 1.141608
H 3.487837 2.781458 -1.428114
H 1.452543 3.432744 -2.747087
H 5.591953 -0.418780 -0.178437
H -0.963216 3.206318 -3.074365
H -1.957842 2.174790 -1.975603
H -2.526866 -0.846757 1.291384
H -6.928680 0.579997 -0.622615
H -4.648444 -1.933633 2.103331
H -6.865940 -1.222054 1.137742
H 4.120290 -5.156615 1.663859
H 1.821466 -3.997721 0.924396


