%chk=000114267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114267

0 1
S -4.237288 1.336789 0.217337
F 4.912338 -2.586349 0.527590
F 2.945037 -3.346036 0.495295
F 3.921528 -2.857791 -1.315192
O -3.804177 1.552258 -1.144832
O -5.504328 1.833403 0.664875
O -3.045051 2.083303 1.141865
N 0.145205 1.003658 -1.093089
N 1.297618 2.723683 -0.032638
C -1.063472 0.163709 -1.248999
C 1.346116 0.467944 -0.529294
C 0.038947 2.385612 -0.666609
C 2.056778 1.539808 0.127437
C -1.553555 -0.450441 0.074327
C -2.959612 -1.053605 -0.061401
C 1.884928 -0.804585 -0.599853
C 3.296558 1.315889 0.713694
C -0.975268 3.224101 -0.917089
C -4.023659 -0.313828 0.750994
C 1.431490 3.882859 0.865395
C 3.145058 -1.015171 0.001994
C 3.834122 0.021430 0.640693
C 3.721755 -2.399801 -0.066371
H -0.824699 -0.633954 -1.988232
H -1.868673 0.795972 -1.715117
H -0.841110 -1.229422 0.411691
H -1.526004 0.315838 0.879293
H -3.265611 -1.097758 -1.129594
H -2.935165 -2.113015 0.272539
H 1.358077 -1.611804 -1.107168
H 3.844214 2.113606 1.207916
H -1.846282 2.934938 -1.494534
H -2.485037 2.742839 0.670173
H -0.961619 4.271057 -0.680233
H -3.754173 -0.345132 1.832930
H -4.982139 -0.877412 0.714305
H 0.999796 4.777679 0.378557
H 0.923468 3.732186 1.833657
H 2.499344 4.091014 1.053338
H 4.809944 -0.157070 1.097850


%chk=000114267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114267

0 1
S -4.300931 1.475293 0.227701
F 4.851590 -2.597037 0.865423
F 2.941317 -3.416413 -0.060058
F 4.543497 -2.507355 -1.374640
O -3.969170 1.624751 -1.369590
O -5.684922 2.076095 0.801630
O -2.902312 2.091382 1.188223
N 0.072738 0.942921 -0.714624
N 1.231209 2.659175 0.173075
C -1.075432 0.109542 -1.114465
C 1.335586 0.446680 -0.342793
C -0.006970 2.313913 -0.404812
C 2.072669 1.535720 0.218485
C -1.667901 -0.681769 0.089908
C -3.138913 -1.135699 -0.152669
C 1.891542 -0.833539 -0.449496
C 3.385565 1.359600 0.688705
C -1.106980 3.159639 -0.564711
C -4.185588 -0.410451 0.696756
C 1.552721 4.013417 0.622869
C 3.219333 -1.005097 0.023745
C 3.955648 0.070260 0.580284
C 3.870596 -2.344730 -0.123535
H -0.750527 -0.579878 -1.915910
H -1.852349 0.765594 -1.540793
H -1.032136 -1.559354 0.306421
H -1.631393 -0.027855 0.980030
H -3.411286 -1.038637 -1.221325
H -3.246673 -2.210304 0.094959
H 1.335878 -1.675851 -0.869341
H 3.960072 2.179368 1.128309
H -1.861673 2.912200 -1.320743
H -2.193004 2.618851 0.545755
H -0.970871 4.226166 -0.364647
H -3.956735 -0.373083 1.773356
H -5.215741 -0.760837 0.518659
H 1.447139 4.734021 -0.207976
H 0.884882 4.321661 1.447235
H 2.591973 4.042118 0.982456
H 4.972948 -0.104078 0.941648


