%chk=000182967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182967

0 1
S 3.427579 -1.908117 0.043818
O 2.433586 -0.694371 -0.624052
O -0.188877 5.583652 -0.269915
O 4.696335 -1.354349 -0.859635
O 3.638463 -1.645557 1.418122
O 2.991668 -3.171594 -0.439510
N -2.140484 -2.428254 0.050126
N -3.039005 -0.327480 0.320607
N -1.313953 2.215265 0.252487
N 1.464852 1.802109 -0.194791
N -4.570263 -2.293441 0.495349
C -1.085172 -1.519689 -0.059159
C -1.660082 -0.216131 0.124423
C -0.813739 0.937182 0.079902
C 0.588284 0.734482 -0.150325
C 0.297021 -1.729289 -0.304226
C 1.096123 -0.614754 -0.340087
C -3.315741 -1.654729 0.276357
C -2.047977 -3.886573 -0.057225
C -0.448487 3.230108 0.209129
C 0.961648 3.019577 -0.016992
C -0.989029 4.624767 0.425376
H 0.678660 -2.738133 -0.475803
H -1.972113 -4.202975 -1.113530
H -1.162466 -4.265388 0.486108
H -2.945566 -4.361356 0.387751
H 1.644361 3.881104 -0.044891
H -5.168127 -1.727397 1.104038
H -5.066614 -2.461033 -0.380945
H -2.051149 4.714086 0.122829
H -0.883657 4.925138 1.490781
H -0.341603 5.518796 -1.237641
H 4.582225 -0.447857 -1.236872


%chk=000182967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182967

0 1
S 3.905600 -1.075233 0.185293
O 2.270926 -1.313895 -1.158229
O 0.422450 5.353348 -0.151707
O 4.024501 0.580379 -0.063425
O 3.293881 -1.482430 1.632663
O 5.109614 -1.936838 -0.447235
N -2.421795 -2.483119 -0.064492
N -3.065140 -0.301624 0.317599
N -1.077292 2.014481 0.224688
N 1.588568 1.329220 -0.315554
N -4.748771 -2.017878 0.480570
C -1.263824 -1.696142 -0.217823
C -1.697673 -0.351013 0.031940
C -0.734314 0.703311 -0.023797
C 0.639638 0.323936 -0.347284
C 0.056362 -2.054475 -0.550792
C 1.034494 -1.038906 -0.663918
C -3.463683 -1.593966 0.253007
C -2.531509 -3.938300 -0.188348
C -0.102886 2.952698 0.191980
C 1.261397 2.613308 -0.058316
C -0.495280 4.394199 0.473051
H 0.366398 -3.081898 -0.763708
H -3.129118 -4.225769 -1.073150
H -1.526608 -4.372601 -0.297616
H -2.984495 -4.374305 0.721146
H 2.060157 3.355762 -0.024775
H -5.437033 -1.310506 0.724979
H -5.033192 -2.988904 0.399269
H -1.550013 4.540971 0.170258
H -0.420855 4.604260 1.554289
H 0.265835 5.374726 -1.129689
H 2.680363 1.035002 -0.339272


