%chk=000284737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284737

0 1
S 0.000441 0.270906 3.254650
S -5.157029 4.744779 -0.636073
S 5.153342 4.744908 -0.642009
O 0.000732 1.448038 4.102425
O 0.000775 -1.063969 3.835613
O -4.642850 0.696331 -0.352384
O 4.640537 0.696679 -0.356504
N -3.461706 2.967417 0.611716
N 3.459786 2.967690 0.608341
C -1.369653 0.371991 2.185649
C 1.369673 0.372097 2.184523
C -1.876625 1.621813 1.827218
C 1.876070 1.621961 1.825401
C -1.971672 -0.803431 1.726942
C 1.971574 -0.803269 1.725585
C -2.985237 1.704245 0.969168
C 2.983992 1.704457 0.966472
C -3.583800 0.495648 0.494695
C 3.582532 0.495893 0.491863
C -3.076276 -0.751284 0.876374
C 3.075550 -0.751058 0.874183
C -5.413339 -0.421259 -0.757289
C 5.413485 -0.419937 -0.759287
C -6.204886 -1.109968 0.165322
C 6.201809 -1.109734 0.165252
C -5.424897 -0.689814 -2.128156
C 5.430818 -0.686031 -2.130591
C -7.088795 -2.411883 -1.691856
C 7.097357 -2.404795 -1.691207
C -7.046414 -2.112802 -0.317804
C 7.046946 -2.110230 -0.316467
C -6.278604 -1.693545 -2.589062
C 6.288098 -1.687403 -2.590002
C -8.006079 -3.475201 -2.197845
C 7.997519 -3.485124 -2.192107
C -4.269776 3.636259 0.021789
C 4.267064 3.636455 0.017172
H -1.431121 2.546265 2.220139
H 1.430654 2.546396 2.218463
H -1.582309 -1.779642 2.045077
H 1.582633 -1.779500 2.044163
H -3.538230 -1.669739 0.513603
H 3.537312 -1.669478 0.511177
H -6.172887 -0.858902 1.224248
H 6.164971 -0.861133 1.224595
H -4.795897 -0.117234 -2.808376
H 4.803598 -0.113167 -2.812220
H -7.680283 -2.662643 0.377925
H 7.676564 -2.662505 0.381195
H -6.315961 -1.917721 -3.655080
H 6.328100 -1.911184 -3.656005
H -8.991419 -3.051514 -2.448948
H -8.177282 -4.269881 -1.458729
H -7.625241 -3.962365 -3.105961
H 8.343056 -3.300744 -3.218933
H 7.479806 -4.456593 -2.194949
H 8.897972 -3.601344 -1.572797


%chk=000284737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284737

0 1
S 0.000549 0.240191 3.109197
S -5.383517 5.044995 -0.331348
S 5.380070 5.050261 -0.330829
O 0.000062 1.603131 4.016300
O 0.001323 -1.273288 3.735850
O -4.890463 0.675445 -0.447908
O 4.890335 0.679958 -0.449227
N -3.782078 2.909316 0.621400
N 3.781406 2.912626 0.622163
C -1.508850 0.345065 1.974085
C 1.509580 0.346543 1.973706
C -2.053759 1.609559 1.722863
C 2.053959 1.611394 1.723210
C -2.058318 -0.851217 1.486990
C 2.059310 -0.849168 1.485527
C -3.209001 1.694206 0.906541
C 3.208988 1.697069 0.906639
C -3.782320 0.486361 0.380621
C 3.782742 0.489835 0.379791
C -3.209901 -0.771465 0.675667
C 3.210653 -0.768371 0.674020
C -5.740721 -0.423125 -0.794573
C 5.742877 -0.417268 -0.794480
C -6.401325 -1.178692 0.196858
C 6.400683 -1.174236 0.197886
C -5.978921 -0.642198 -2.164158
C 5.993330 -0.627247 -2.163278
C -7.569669 -2.436817 -1.578400
C 7.580697 -2.424261 -1.575527
C -7.306468 -2.184109 -0.205989
C 7.312362 -2.174231 -0.203570
C -6.892507 -1.649514 -2.545806
C 6.913344 -1.629257 -2.543439
C -8.575123 -3.494504 -1.998368
C 8.544716 -3.519978 -1.994909
C -4.488086 3.797225 0.196303
C 4.486415 3.801422 0.197266
H -1.623186 2.511490 2.168487
H 1.623114 2.512841 2.169554
H -1.614475 -1.814611 1.756603
H 1.615856 -1.812931 1.754453
H -3.662430 -1.680680 0.270753
H 3.663246 -1.677117 0.268199
H -6.222976 -0.977930 1.258325
H 6.221017 -0.973374 1.259104
H -5.460560 -0.027691 -2.906014
H 5.484944 -0.004705 -2.905324
H -7.823630 -2.773774 0.559937
H 7.831636 -2.760887 0.563241
H -7.081309 -1.824286 -3.611405
H 7.116122 -1.792464 -3.608263
H -9.592852 -3.065023 -2.075188
H -8.623727 -4.322145 -1.269323
H -8.325364 -3.922695 -2.984791
H 9.036840 -3.281515 -2.953881
H 8.017479 -4.484728 -2.127380
H 9.332375 -3.679228 -1.237864


