%chk=000225498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225498

0 1
S -0.387549 -1.104229 0.072476
O -0.806140 -2.352303 -0.538786
O -0.971793 -0.675914 1.320312
O 6.075480 -0.366802 1.491188
O 6.210142 -1.981519 0.056343
N -0.580016 0.097797 -1.143863
N -4.310164 0.725794 0.157547
N 5.585017 -1.169576 0.716374
C -1.619045 -0.117539 -2.188433
C -2.992681 0.488302 -1.866622
C -0.308531 1.479295 -0.806929
C 1.350768 -1.123222 0.264623
C -3.711388 -0.145009 -0.706294
C 0.559859 2.196609 -1.648189
C -0.867489 2.087022 0.329741
C 1.958414 -0.223878 1.143285
C 2.109860 -2.044657 -0.459801
C 3.348628 -0.233409 1.297911
C 3.500796 -2.067417 -0.315684
C -3.792082 -1.540204 -0.536059
C 4.102086 -1.156046 0.561548
C 0.874762 3.521194 -1.336542
C -0.539017 3.410741 0.627729
C 0.330716 4.128724 -0.200283
C -4.505521 -2.045102 0.553335
C -5.001689 0.216663 1.209289
C -5.127369 -1.162220 1.441296
H -1.704439 -1.215989 -2.376872
H -1.239227 0.338529 -3.133904
H -2.885151 1.585182 -1.683166
H -3.644595 0.415442 -2.764850
H 0.981760 1.720707 -2.531482
H -1.563829 1.533869 0.972986
H 1.353321 0.487145 1.720603
H 1.620456 -2.757853 -1.135925
H 3.845673 0.464600 1.980951
H 4.115410 -2.782016 -0.874350
H -3.283535 -2.218750 -1.221292
H 1.547698 4.082634 -1.983844
H -0.973040 3.887052 1.507238
H 0.579451 5.161571 0.036836
H -4.570185 -3.122021 0.710865
H -5.461580 0.951827 1.879332
H -5.684442 -1.530724 2.297565


%chk=000225498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225498

0 1
S -0.465798 -1.103073 0.038074
O -0.872122 -2.531656 -0.644215
O -1.073120 -0.651852 1.486460
O 6.107689 -0.479439 1.763674
O 6.323210 -1.802020 -0.082240
N -0.608582 0.200573 -1.408780
N -4.047200 0.669479 0.345033
N 5.617331 -1.136287 0.767862
C -1.758415 -0.124133 -2.296410
C -3.186591 0.379057 -1.942222
C -0.338353 1.548542 -0.970320
C 1.415574 -1.090034 0.241930
C -3.788393 -0.209793 -0.675299
C 0.916116 2.087904 -1.368134
C -1.223744 2.326082 -0.171810
C 1.951499 -0.385286 1.331698
C 2.187483 -1.823220 -0.675278
C 3.351036 -0.400496 1.507166
C 3.585793 -1.841326 -0.498881
C -4.072913 -1.593964 -0.557897
C 4.139284 -1.122869 0.585281
C 1.270729 3.404927 -1.008014
C -0.852264 3.639424 0.191836
C 0.385234 4.183746 -0.225323
C -4.648400 -2.082760 0.633471
C -4.602433 0.183907 1.492915
C -4.924406 -1.177292 1.682543
H -1.753986 -1.225531 -2.406350
H -1.471649 0.299290 -3.279857
H -3.201982 1.478624 -1.861798
H -3.823329 0.108044 -2.808759
H 1.583626 1.463846 -1.971510
H -2.180872 1.911105 0.170510
H 1.288133 0.140789 2.025189
H 1.705254 -2.376736 -1.486409
H 3.833480 0.129482 2.332069
H 4.244968 -2.393315 -1.173438
H -3.835313 -2.276079 -1.380196
H 2.232056 3.819253 -1.330803
H -1.533046 4.237143 0.807983
H 0.660886 5.204643 0.062020
H -4.866803 -3.149988 0.744518
H -4.785082 0.920118 2.283953
H -5.364784 -1.514531 2.625960


