%chk=000194735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194735

0 1
S 0.640751 -2.454405 1.791969
S 4.781884 1.316148 -1.063375
O 1.217062 -3.804568 2.021611
O 5.948535 0.579376 -1.505554
O 4.059511 2.149574 -2.012270
N -3.388228 1.658441 -0.585514
N -0.045403 -0.395190 -0.387448
C -2.424417 1.572511 0.562392
C -2.791720 2.495552 1.748538
C -0.998697 1.876073 0.047013
C -3.057057 3.939861 1.308301
C -3.670271 3.070110 -0.984046
C -4.088309 3.991762 0.174680
C -0.532487 0.870600 -1.014445
C -4.646538 0.908770 -0.292489
C 1.331483 -0.512778 -0.057355
C -0.928284 -1.506719 -0.279059
C 1.789807 -1.504570 0.825154
C -0.651185 -2.569803 0.594562
C 2.286876 0.368939 -0.626423
C -2.108544 -1.563961 -1.062268
C 3.635447 0.204553 -0.347136
C 3.151476 -1.693128 1.055714
C -1.465221 -3.705929 0.621701
C 4.086722 -0.837349 0.467668
C -2.928058 -2.684079 -1.004128
C -2.606595 -3.769751 -0.174269
C 5.263138 2.331911 0.286818
H -2.436356 0.510984 0.930550
H -1.989872 2.472257 2.508398
H -3.691403 2.091755 2.251990
H -0.296161 1.889170 0.902093
H -0.962447 2.895579 -0.386948
H -2.112513 4.414663 0.979826
H -3.412386 4.535775 2.170196
H -4.450122 3.068047 -1.774214
H -2.743936 3.460366 -1.462186
H -5.083525 3.694193 0.555323
H -4.201861 5.028387 -0.191704
H 0.275961 1.318716 -1.640281
H -1.371246 0.646173 -1.723592
H -5.228576 1.298465 0.555332
H -4.398535 -0.146123 -0.088402
H -5.289703 0.924561 -1.186550
H 1.960823 1.163126 -1.313684
H -2.373049 -0.725456 -1.715007
H 3.485400 -2.521426 1.691806
H -1.196616 -4.548114 1.269316
H 5.153731 -0.999818 0.630376
H -3.828227 -2.724292 -1.619304
H -3.241996 -4.651342 -0.156709
H 6.325017 2.205154 0.547017
H 5.144777 3.402879 0.061092
H 4.702145 2.159269 1.211322


%chk=000194735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194735

0 1
S -0.029100 -2.391681 1.871639
S 4.620034 1.286409 -0.808060
O 0.645007 -3.815927 2.424366
O 6.024367 0.450111 -0.842374
O 3.968034 1.973038 -2.145989
N -3.348283 1.650042 0.037727
N -0.374856 -0.468254 -0.532811
C -2.024544 1.879612 0.695293
C -2.042140 3.099001 1.666917
C -0.900526 1.990774 -0.371328
C -2.606144 4.376349 0.995167
C -3.912031 2.879397 -0.584932
C -3.997562 4.094089 0.378368
C -0.841080 0.736801 -1.268723
C -4.312841 0.911014 0.881628
C 0.949801 -0.495560 -0.021651
C -1.061688 -1.716196 -0.703845
C 1.332676 -1.434669 0.975232
C -0.915673 -2.762736 0.241344
C 1.978214 0.349253 -0.529871
C -1.844555 -2.002525 -1.856919
C 3.282220 0.163177 -0.056967
C 2.655620 -1.645108 1.385280
C -1.450672 -4.046009 0.067675
C 3.681022 -0.829178 0.853166
C -2.430245 -3.274877 -2.026761
C -2.226264 -4.309235 -1.083478
C 4.843144 2.689833 0.478207
H -1.810170 0.967854 1.288753
H -1.021109 3.282550 2.056196
H -2.675025 2.847571 2.542039
H 0.063448 2.162837 0.143139
H -1.067069 2.865881 -1.027719
H -1.916378 4.726092 0.199766
H -2.669522 5.195163 1.736748
H -4.910150 2.628433 -0.989603
H -3.278914 3.158962 -1.451818
H -4.727724 3.885528 1.186005
H -4.368233 4.980436 -0.172341
H -0.220262 0.915758 -2.170049
H -1.879706 0.550062 -1.586878
H -4.635855 1.446255 1.806648
H -3.866888 -0.052647 1.187255
H -5.218831 0.688610 0.289025
H 1.796419 1.084033 -1.320697
H -1.967533 -1.248698 -2.639236
H 2.862222 -2.442274 2.109353
H -1.250745 -4.812343 0.825733
H 4.733846 -0.965923 1.116914
H -3.028749 -3.466284 -2.924091
H -2.665359 -5.299284 -1.239705
H 5.180837 2.219633 1.411757
H 5.608968 3.347213 0.043362
H 3.871546 3.192540 0.577542


