%chk=000279684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279684

0 1
S 0.540385 1.642842 -0.006298
O 4.988054 0.792241 0.283436
O 0.433863 2.517649 -1.160603
O 0.165460 2.128137 1.295194
O 0.465606 -0.934274 1.488542
N 2.174841 1.087251 0.005719
N -0.214404 -2.310893 -0.181780
C -0.377935 0.166588 -0.465563
C 2.780922 0.878862 1.354072
C 3.106789 1.825495 -0.897886
C 4.094655 0.101267 1.183366
C 4.406728 1.011831 -1.016984
C -0.012013 -1.048465 0.366110
C -1.844585 0.471781 -0.337568
C -0.867853 -2.556353 -1.492943
C 0.150145 -3.508307 0.630806
C -2.628460 0.641931 -1.488889
C -2.432269 0.585080 0.932979
C -3.994480 0.912233 -1.366161
C -3.797705 0.853375 1.046107
C 0.097733 -2.321240 -2.654018
C -1.059336 -4.086006 1.360962
C -4.581956 1.013059 -0.101498
H -0.123064 -0.041967 -1.547200
H 2.970122 1.841273 1.880248
H 2.068821 0.292265 1.990210
H 2.632238 1.954603 -1.897468
H 3.337382 2.846674 -0.517014
H 3.919992 -0.919122 0.800648
H 4.681951 0.067205 2.117944
H 5.200965 1.572647 -1.540780
H 4.237694 0.036342 -1.504596
H -1.768075 -1.905577 -1.592630
H -1.245517 -3.604198 -1.517857
H 0.931244 -3.206859 1.372895
H 0.609521 -4.265615 -0.040636
H -2.176330 0.587076 -2.477709
H -1.813731 0.488566 1.832341
H -0.369092 -2.574448 -3.613061
H 0.420812 -1.271301 -2.709185
H 1.005862 -2.929903 -2.557746
H -1.499116 -3.347035 2.046058
H -1.851710 -4.403330 0.675132
H -0.773109 -4.955559 1.964402
H -4.600093 1.051551 -2.260549
H -4.249309 0.946391 2.033535
H -5.645743 1.224837 -0.009383


%chk=000279684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279684

0 1
S 0.389882 1.401143 -0.884568
O 4.630916 0.567924 0.978630
O 0.641289 1.474530 -2.503900
O -0.053686 2.752561 -0.085268
O -0.220651 -1.020995 1.414504
N 2.016369 0.641278 -0.153679
N -0.039878 -2.346444 -0.486909
C -1.138514 -0.131320 -0.661236
C 2.200690 1.061526 1.264632
C 3.187274 1.044514 -0.986042
C 3.433737 0.280572 1.780775
C 4.388308 0.242067 -0.432122
C -0.449587 -1.197159 0.166618
C -2.349604 0.553415 -0.162567
C -0.350220 -2.702359 -1.895747
C 0.775004 -3.316098 0.289178
C -3.218205 1.152715 -1.123558
C -2.673601 0.660598 1.221163
C -4.387234 1.822835 -0.717885
C -3.847706 1.329728 1.620248
C 0.697664 -2.192005 -2.909711
C -0.089473 -4.339117 1.055660
C -4.707053 1.911613 0.658354
H -1.162675 -0.322509 -1.741626
H 2.370523 2.153556 1.361391
H 1.312026 0.767070 1.847279
H 2.994015 0.784602 -2.040476
H 3.406343 2.131341 -0.916354
H 3.209933 -0.806847 1.759071
H 3.680227 0.591391 2.809021
H 5.312872 0.515080 -0.966921
H 4.190778 -0.845201 -0.546747
H -1.358875 -2.338198 -2.159351
H -0.406504 -3.806137 -1.939696
H 1.387961 -2.738306 1.001586
H 1.451283 -3.827698 -0.420821
H -2.965482 1.093550 -2.189538
H -1.997153 0.219465 1.958161
H 0.456085 -2.566508 -3.921535
H 0.728542 -1.088183 -2.947797
H 1.707823 -2.552768 -2.644158
H -0.729000 -3.818934 1.787892
H -0.734877 -4.918854 0.370456
H 0.556317 -5.051163 1.601241
H -5.044172 2.279182 -1.465951
H -4.091102 1.407017 2.685524
H -5.614708 2.436130 0.977481


