%chk=000180050.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180050

0 1
S 0.989239 -1.396651 -0.223270
S -3.775297 -0.756172 0.860165
F 4.925199 -0.167939 1.322119
F 3.273175 -1.456141 1.509521
F 4.288417 -1.270114 -0.363238
O 0.007412 -1.427143 -1.295228
O 2.194427 -2.190245 -0.357465
O -1.316180 0.848654 1.406090
O -5.032389 -1.103469 0.161806
O -2.986061 -1.862726 1.376991
N -0.678378 1.162670 -0.772465
N -0.949477 1.212918 -2.090218
N -4.243616 -0.358341 -2.186038
C 1.549189 0.292028 -0.087782
C 0.727975 1.374756 -0.417244
C 2.873573 0.565649 0.280780
C -2.839314 0.130922 -0.269582
C -1.632453 0.697390 0.237393
C 1.196023 2.699916 -0.413125
C 3.362468 1.876408 0.288824
C -3.115182 0.154628 -1.641223
C 2.521884 2.940896 -0.061730
C 0.202289 -1.724756 1.275287
C 3.815602 -0.565622 0.666216
C -2.117786 0.792887 -2.519362
C -4.160006 0.326854 2.159852
H 0.529993 3.519822 -0.687554
H 4.399055 2.092449 0.559305
H 2.909779 3.961956 -0.058356
H 0.106804 -0.871443 1.968009
H -0.858580 -2.071234 1.167714
H 0.673981 -2.529601 1.861231
H -2.309945 0.885952 -3.595425
H -4.874802 1.114420 1.886810
H -4.604621 -0.185666 3.027385
H -3.268564 0.845742 2.564580
H -4.960285 -0.846042 -1.590406
H -4.387045 -0.385612 -3.183665


%chk=000180050-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180050

0 1
S 1.006600 -1.591099 -0.180407
S -3.865441 -0.794630 0.839437
F 4.499227 0.522211 2.174249
F 3.054388 -1.200566 2.007339
F 4.727247 -0.938218 0.479147
O -0.187933 -1.618518 -1.296114
O 2.402262 -2.353854 -0.529228
O -1.066849 0.305198 1.253551
O -5.380838 -0.862247 0.166999
O -3.120297 -2.186874 1.244685
N -0.649933 1.061878 -0.938915
N -1.054263 1.395626 -2.205643
N -4.494404 0.085437 -2.193202
C 1.545585 0.318642 -0.012558
C 0.736784 1.303059 -0.628459
C 2.851159 0.652994 0.419624
C -2.835139 0.196858 -0.383368
C -1.506288 0.490584 0.070678
C 1.272816 2.573348 -0.934804
C 3.370763 1.940245 0.127956
C -3.273614 0.432145 -1.702429
C 2.598508 2.879948 -0.580087
C 0.293272 -2.266016 1.475064
C 3.757791 -0.253009 1.230186
C -2.300683 1.106402 -2.559068
C -4.000627 0.284987 2.403745
H 0.633697 3.301783 -1.442168
H 4.374367 2.200331 0.475922
H 3.019408 3.859553 -0.823924
H 0.594171 -1.573271 2.268688
H -0.797045 -2.296048 1.330316
H 0.769006 -3.253920 1.557808
H -2.570523 1.389651 -3.581436
H -4.517821 1.206279 2.103602
H -4.593091 -0.319313 3.105174
H -2.965180 0.448643 2.730835
H -5.156233 -0.383718 -1.539883
H -4.734347 0.263499 -3.166607


