%chk=000293074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293074

0 1
S 4.288020 -1.016839 0.283768
O -0.838842 2.517231 -2.388831
O -2.541864 1.397179 1.747776
O 0.324465 3.613314 2.085304
O 4.709103 -0.781047 -1.078735
O 5.239905 -1.018355 1.372348
N 3.174445 0.220570 0.738387
N -2.798556 1.198656 -0.538210
C -1.096114 2.737878 0.339306
C 0.094842 2.042292 -0.260977
C 1.092182 1.451779 0.510133
C 2.196508 0.811729 -0.103141
C 0.211936 1.960570 -1.668063
C -2.201325 1.710264 0.623297
C -0.782234 3.552451 1.611850
C 2.297695 0.769643 -1.505620
C 1.295473 1.340612 -2.291304
C 3.329217 -2.449450 0.341278
C -1.956074 4.277565 2.189233
C -3.841504 0.217074 -0.586275
C 2.582506 -2.841766 -0.774716
C 3.305283 -3.220585 1.508605
C -4.285613 -0.183840 -1.864856
C -4.420149 -0.330822 0.570917
C 1.802408 -4.000218 -0.720665
C 2.526394 -4.379788 1.563897
C 1.773267 -4.766834 0.449836
C -5.307343 -1.127517 -1.968286
C -5.440993 -1.274135 0.442207
C -5.888744 -1.675888 -0.820027
H -1.475920 3.487914 -0.417576
H 1.029776 1.508948 1.601928
H 3.249901 0.637552 1.677389
H 3.172425 0.322833 -1.996611
H 1.372232 1.307597 -3.375750
H -2.421611 1.498807 -1.452565
H -1.641728 4.988910 2.968071
H -2.542447 4.830278 1.448147
H -2.642558 3.557096 2.676783
H 2.611649 -2.248925 -1.694947
H 3.902704 -2.922764 2.378288
H -0.623019 2.576518 -3.350147
H -3.842789 0.234586 -2.764578
H -4.075267 -0.024499 1.563919
H 1.218434 -4.305147 -1.588097
H 2.506520 -4.979964 2.472858
H 1.162306 -5.669913 0.493349
H -5.654206 -1.438401 -2.953400
H -5.891321 -1.699486 1.339461
H -6.685176 -2.410360 -0.909159


%chk=000293074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293074

0 1
S 3.951193 -1.405036 -0.476757
O -0.937633 2.737124 -2.260643
O -1.818720 0.521266 1.733571
O 0.655426 3.325951 2.271221
O 3.708424 -1.561534 -2.076295
O 5.314315 -1.877407 0.268609
N 3.824719 0.561410 -0.140451
N -2.476829 0.933378 -0.490839
C -0.837760 2.453811 0.518996
C 0.364881 2.073735 -0.337597
C 1.530725 1.484573 0.193244
C 2.623460 1.126643 -0.645835
C 0.290934 2.236667 -1.746736
C -1.769102 1.208860 0.671478
C -0.518883 3.078147 1.901855
C 2.533716 1.338372 -2.050402
C 1.359638 1.882098 -2.599577
C 2.479368 -2.200313 0.414436
C -1.716525 3.415548 2.773287
C -3.333395 -0.171451 -0.763372
C 1.234837 -2.209376 -0.238905
C 2.697531 -2.721640 1.701079
C -3.890025 -0.253357 -2.069391
C -3.644376 -1.172179 0.197185
C 0.134996 -2.761891 0.457966
C 1.586760 -3.281392 2.373893
C 0.312388 -3.291041 1.758013
C -4.743893 -1.320111 -2.413448
C -4.502363 -2.234082 -0.164480
C -5.055901 -2.319968 -1.462386
H -1.412566 3.227934 -0.030561
H 1.598998 1.320605 1.272450
H 3.908424 0.616896 0.893518
H 3.382029 1.064947 -2.682197
H 1.277641 2.024115 -3.684492
H -2.288736 1.567660 -1.281476
H -1.431376 4.170993 3.521836
H -2.578942 3.769158 2.180188
H -2.034746 2.492776 3.293993
H 1.135488 -1.815159 -1.254904
H 3.699274 -2.710276 2.143472
H -0.855301 2.967673 -3.218070
H -3.652985 0.519301 -2.811833
H -3.221989 -1.101042 1.201208
H -0.854139 -2.772049 -0.011797
H 1.718441 -3.705130 3.374905
H -0.545175 -3.713177 2.292527
H -5.165100 -1.370512 -3.423495
H -4.742694 -2.999716 0.581886
H -5.720253 -3.148500 -1.729081


