%chk=000248220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248220

0 1
S -4.962972 1.193098 -1.819891
O -4.485991 2.333157 -0.638750
O -5.701928 0.054703 -0.771050
O 1.745915 0.067477 0.262181
O 1.595097 -4.018697 -0.120091
O -6.083264 1.816104 -2.493296
O 2.956975 -2.225884 -0.151407
O 1.064811 2.250067 0.242878
N -3.056891 0.053087 1.123423
C -3.129006 1.532436 1.191454
C -4.355879 -0.659274 1.108568
C -1.867945 -0.601188 0.823640
C -3.138247 2.212738 -0.189167
C -4.855608 -0.992247 -0.310193
C -0.663979 0.131854 0.674745
C -1.828771 -2.022358 0.692711
C 0.518228 -0.546011 0.409556
C 0.578307 -1.955931 0.274940
C -0.632583 -2.664885 0.434154
C 1.830357 -2.651094 -0.008838
C 1.968786 1.455769 0.195160
C 3.419368 1.683635 0.056758
C 3.876440 3.015485 0.050059
C 4.325842 0.619894 -0.067947
C 5.239586 3.274442 -0.079596
C 5.691045 0.891306 -0.197943
C 2.753965 -4.846481 -0.395507
C 6.146399 2.212245 -0.203350
H -2.272861 1.914104 1.797941
H -4.058159 1.826807 1.739061
H -5.127284 -0.025207 1.613434
H -4.272032 -1.590167 1.715995
H -2.804630 3.270508 -0.101205
H -2.487815 1.702948 -0.921492
H -4.031795 -1.209588 -1.012629
H -5.538121 -1.869926 -0.283682
H -0.648780 1.218326 0.778881
H -2.730936 -2.612437 0.818899
H -0.607584 -3.758240 0.343105
H 3.159670 3.834551 0.145895
H 3.955271 -0.420478 -0.064144
H 5.600934 4.301721 -0.085209
H 6.396719 0.066473 -0.295144
H 7.212109 2.420482 -0.304598
H 3.466202 -4.764673 0.431528
H 3.217768 -4.531241 -1.335620
H 2.320166 -5.848711 -0.466719


%chk=000248220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248220

0 1
S -4.588485 1.039000 -1.921752
O -4.288135 2.496434 -0.759953
O -5.737504 -0.049413 -0.882466
O 1.746442 0.071002 0.244358
O 1.526618 -4.155025 -0.133456
O -5.647184 1.681806 -2.925891
O 2.974179 -2.339464 -0.127127
O 1.071971 2.337473 0.313954
N -3.133257 0.087266 0.943728
C -3.105987 1.539150 1.231794
C -4.394126 -0.655702 1.149813
C -1.936977 -0.608243 0.702570
C -3.013957 2.437063 -0.019184
C -5.062751 -1.138126 -0.155071
C -0.701666 0.098735 0.590776
C -1.904630 -2.033508 0.568242
C 0.504254 -0.587479 0.356221
C 0.549536 -2.012088 0.225059
C -0.692145 -2.695228 0.343111
C 1.799071 -2.772835 -0.020913
C 1.973196 1.468838 0.217094
C 3.425645 1.737084 0.059141
C 3.849849 3.093237 0.051277
C 4.372273 0.685927 -0.084198
C 5.216454 3.400168 -0.096272
C 5.738516 1.005854 -0.231781
C 2.708766 -5.007737 -0.377036
C 6.163176 2.356109 -0.237525
H -2.262735 1.777493 1.910128
H -4.036661 1.801983 1.763123
H -5.108712 0.009534 1.663094
H -4.222379 -1.525924 1.815239
H -2.844980 3.485906 0.286999
H -2.179505 2.135174 -0.680612
H -4.338597 -1.664593 -0.807609
H -5.887813 -1.835419 0.083335
H -0.654129 1.181355 0.676042
H -2.815284 -2.631268 0.647984
H -0.680358 -3.783571 0.250174
H 3.098670 3.882596 0.160870
H 4.026108 -0.353205 -0.081826
H 5.545550 4.444777 -0.101899
H 6.472948 0.201025 -0.343702
H 7.226565 2.595123 -0.352793
H 3.431874 -4.911861 0.450772
H 3.204179 -4.720502 -1.320056
H 2.309013 -6.030221 -0.436275


