%chk=000225812.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225812

0 1
S -2.333700 -1.047143 0.441348
S 3.010158 1.220128 0.787069
O -1.944911 -1.514509 1.740361
O -1.790724 -1.692842 -0.723915
O 1.962170 0.943656 1.733856
O 3.683890 2.486200 0.856276
O -3.228693 2.653997 -0.005676
O 2.704989 -0.348589 -2.694717
N -2.041930 0.673853 0.305600
N 2.371582 1.005231 -0.827954
C -0.113082 1.091470 -1.197234
C -0.684895 1.263721 0.217718
C 1.241329 1.785574 -1.387076
C -4.058628 -0.840329 0.327425
C 4.120067 -0.103482 0.615916
C -3.205383 1.454293 0.139711
C 2.972974 -0.046659 -1.556996
C -4.396330 0.523274 0.181442
C 4.011155 -0.690192 -0.665240
C -5.041102 -1.807687 0.374744
C 5.021524 -0.591602 1.539438
C -5.717086 0.925459 0.082589
C 4.802703 -1.765972 -1.027215
C -6.391551 -1.407172 0.272854
C 5.833490 -1.689455 1.178538
C -6.722790 -0.063103 0.129984
C 5.725141 -2.265953 -0.083157
H -0.828535 1.501640 -1.941201
H -0.032323 0.010663 -1.454584
H -0.031194 0.779623 0.988925
H -0.741680 2.345192 0.489327
H 1.246221 2.799517 -0.926906
H 1.423705 1.929008 -2.482026
H -4.796517 -2.865842 0.488728
H 5.117079 -0.150583 2.534076
H -5.971673 1.981871 -0.029135
H 4.712479 -2.216842 -2.018474
H -7.176420 -2.163801 0.308055
H 6.548539 -2.084298 1.901748
H -7.769444 0.237970 0.053242
H 6.355793 -3.115484 -0.353567


%chk=000225812-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225812

0 1
S -2.372855 -1.224309 0.435908
S 3.047177 1.295156 0.912500
O -1.898107 -1.697636 1.909674
O -1.819485 -2.044378 -0.849561
O 1.979212 0.964748 2.087938
O 3.724559 2.767167 0.887697
O -3.241462 2.627861 -0.167916
O 2.668886 -0.456200 -2.653895
N -2.067012 0.634403 0.208623
N 2.297783 0.915838 -0.790950
C -0.154377 1.218816 -1.287479
C -0.695463 1.157933 0.159940
C 1.273573 1.799270 -1.373309
C -4.223129 -0.870981 0.332082
C 4.259644 -0.120102 0.633757
C -3.228024 1.378764 0.033155
C 2.956145 -0.104717 -1.474748
C -4.443555 0.500669 0.124062
C 4.041664 -0.702442 -0.626297
C -5.236048 -1.826723 0.442145
C 5.224728 -0.548372 1.548379
C -5.771557 0.960554 0.015030
C 4.848819 -1.791793 -1.011713
C -6.567735 -1.349498 0.331446
C 6.029356 -1.645514 1.145916
C -6.828774 0.027122 0.120241
C 5.841388 -2.256940 -0.118315
H -0.817666 1.868151 -1.889639
H -0.168752 0.212958 -1.743358
H -0.052915 0.538602 0.813940
H -0.727214 2.170297 0.606710
H 1.340441 2.783700 -0.870448
H 1.545288 1.948124 -2.434967
H -5.022870 -2.887093 0.605046
H 5.358829 -0.071227 2.523343
H -5.949678 2.028401 -0.146867
H 4.684481 -2.250737 -1.991794
H -7.399244 -2.057030 0.410615
H 6.801781 -2.020735 1.824659
H -7.864357 0.372085 0.038220
H 6.472922 -3.103392 -0.405873


