%chk=000287142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287142

0 1
S 6.287099 0.584980 0.216958
O 6.350300 1.658231 1.187454
O 7.177875 -0.557073 0.302275
O -0.511270 0.496601 0.134849
O -5.997191 2.659571 -0.295487
O -3.944320 2.984039 -0.894644
N -1.644277 -1.485717 -0.275630
N 0.725049 -1.432180 -0.291815
N 6.619703 1.317717 -1.304366
N -4.854270 2.279346 -0.495770
C -2.972850 -0.967503 -0.122624
C -4.022162 -1.857561 0.240104
C 4.667606 0.025840 0.072426
C 2.037849 -0.890197 -0.160866
C -3.244564 0.388658 -0.357873
C 4.419290 -1.299340 -0.305981
C 3.595566 0.886105 0.339322
C 3.114752 -1.769070 -0.426290
C 2.280774 0.440195 0.223631
C -5.327498 -1.358172 0.342729
C -4.561495 0.847318 -0.239690
C -0.480296 -0.690250 -0.115419
C -5.609959 -0.012093 0.108911
C -3.763935 -3.301638 0.514926
H -2.440510 1.097016 -0.621363
H 5.259084 -1.979066 -0.501102
H 3.785164 1.920592 0.652775
H -1.569071 -2.492220 -0.413444
H 2.939799 -2.800471 -0.720221
H 1.449856 1.125913 0.431076
H -6.141733 -2.031875 0.617395
H 0.675061 -2.416083 -0.564069
H -6.631008 0.374497 0.197327
H -2.989072 -3.439964 1.284362
H -4.659223 -3.821494 0.891279
H -3.456176 -3.842936 -0.391491
H 6.756707 2.325714 -1.331506
H 7.305047 0.873571 -1.910950


%chk=000287142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287142

0 1
S 6.474297 0.597235 0.067002
O 6.534146 2.099142 0.695084
O 7.348958 -0.653334 0.639061
O -0.551970 0.806214 0.004980
O -6.447083 2.500531 -0.070798
O -4.255246 3.127661 -0.077624
N -1.661008 -1.277349 0.007379
N 0.671793 -1.209772 -0.000291
N 6.926508 0.715713 -1.717235
N -5.182869 2.232168 -0.063061
C -3.021633 -0.868432 -0.002498
C -4.016034 -1.903039 0.010909
C 4.677507 0.069517 0.028189
C 2.004003 -0.722090 0.009721
C -3.406075 0.494283 -0.026018
C 4.392803 -1.305067 -0.009450
C 3.681654 1.057057 0.067172
C 3.043026 -1.696283 -0.016199
C 2.328780 0.662389 0.056995
C -5.380066 -1.532148 0.000134
C -4.779926 0.800842 -0.036503
C -0.518212 -0.454586 0.004278
C -5.787069 -0.184397 -0.023652
C -3.621890 -3.369059 0.036837
H -2.659945 1.289993 -0.034531
H 5.202538 -2.040949 -0.009702
H 3.954306 2.115455 0.129097
H -1.519313 -2.288385 0.025115
H 2.794612 -2.764786 -0.040664
H 1.528719 1.402817 0.085181
H -6.138956 -2.321861 0.010744
H 0.592757 -2.228932 -0.020205
H -6.839154 0.108328 -0.032157
H -3.033229 -3.626941 0.940828
H -4.515479 -4.013120 0.044755
H -3.027220 -3.657352 -0.853969
H 7.039983 1.714184 -1.960162
H 7.791687 0.165354 -1.851542


