%chk=000224835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224835

0 1
S -2.477405 2.893550 -0.485937
O 3.793220 0.972315 1.812048
O 5.116012 -1.255374 0.623544
O -1.884429 3.756326 0.493500
O -3.557241 3.358275 -1.323890
O 2.632664 -1.881501 -3.654508
O 1.241592 -0.245042 -3.843900
O -3.258144 -2.781639 2.886210
O -5.065496 -2.825383 1.695282
N -1.274434 2.447452 -1.670947
N -0.209095 1.793185 -1.153853
N 2.100427 -0.864948 -3.232227
N -4.017689 -2.317970 2.053802
C -2.915793 1.381927 0.248942
C 1.923801 0.726208 -1.275396
C 2.532936 -0.368617 -1.917993
C 3.465298 0.453351 0.598693
C 2.403493 1.125170 -0.017690
C 4.075581 -0.661470 -0.066288
C 3.606774 -1.058582 -1.305680
C -2.086573 0.815280 1.220070
C -4.102767 0.752104 -0.137697
C -3.632274 -1.021081 1.422095
C 0.812912 1.472539 -1.900347
C -2.442362 -0.399521 1.816996
C -4.471748 -0.460992 0.450662
C 4.890735 0.374919 2.557374
C 5.758680 -2.397121 0.000569
H 1.945822 1.974775 0.500249
H 4.047191 -1.909625 -1.838694
H -1.154372 1.313142 1.518210
H -4.751304 1.207055 -0.899202
H -1.317430 2.748438 -2.657393
H 0.931642 1.681282 -2.978797
H -1.804442 -0.861297 2.579340
H -5.398272 -0.970689 0.162056
H 5.820794 0.456208 1.984499
H 4.658902 -0.669588 2.792038
H 4.910154 1.001437 3.457598
H 6.516764 -2.656813 0.751311
H 5.042589 -3.213863 -0.132036
H 6.226685 -2.103721 -0.943915


%chk=000224835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224835

0 1
S -2.454221 2.696227 -0.863942
O 2.932761 -0.428388 1.867991
O 5.364594 -1.292401 0.486914
O -1.511583 3.725829 -0.034992
O -3.668250 3.185951 -1.825494
O 4.435655 -0.484632 -4.314177
O 2.361417 0.416271 -4.528630
O -3.884740 -1.653800 4.179167
O -5.610206 -2.128039 2.764079
N -1.427991 1.554134 -2.045354
N -0.260147 1.143431 -1.491709
N 3.321969 -0.064413 -3.798926
N -4.541391 -1.481904 3.083226
C -3.086891 1.394851 0.344354
C 1.975520 0.251750 -1.632520
C 3.161512 -0.141219 -2.335180
C 3.121088 -0.362962 0.495846
C 2.010790 0.120017 -0.219868
C 4.290992 -0.770341 -0.240694
C 4.288041 -0.641986 -1.637393
C -2.375957 1.212815 1.541223
C -4.253212 0.693068 -0.001119
C -4.028991 -0.466853 2.118114
C 0.753126 0.774078 -2.260970
C -2.862178 0.253449 2.453559
C -4.738017 -0.264073 0.913505
C 4.049209 -0.582986 2.826852
C 6.549341 -1.728502 -0.266681
H 1.125247 0.411409 0.349959
H 5.151216 -0.931627 -2.239894
H -1.486989 1.813430 1.755285
H -4.770183 0.900304 -0.943014
H -1.450759 1.988884 -2.995408
H 0.714300 0.820452 -3.356514
H -2.359249 0.056802 3.403495
H -5.640386 -0.846659 0.712679
H 4.828562 0.176731 2.649102
H 4.489013 -1.589459 2.760681
H 3.575663 -0.425806 3.807504
H 7.247161 -2.104575 0.494816
H 6.291217 -2.537606 -0.975214
H 7.006342 -0.881549 -0.811964


