%chk=000216830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216830

0 1
S -0.032258 -1.456151 -2.297957
S -0.622943 1.949821 -2.474396
P -0.418270 0.381866 -1.414640
O 0.840092 0.350224 -0.336745
O -1.675628 -0.047992 -0.431721
O 1.238104 -4.430172 -0.766345
N 1.882461 -2.416947 0.103977
C 1.160226 1.574253 0.393376
C -2.732693 0.930672 -0.179108
C 2.405837 1.177479 1.187872
C -3.635010 0.185214 0.805684
C 2.942678 2.361486 1.982566
C -4.832779 1.040510 1.198444
C -0.333959 -2.635626 -0.948890
C 0.996375 -3.250965 -0.559189
C 3.226188 -2.907499 0.472664
H 0.312302 1.834994 1.051040
H 1.369443 2.393751 -0.321147
H -3.251180 1.162201 -1.128837
H -2.302390 1.847715 0.259620
H 2.166150 0.332294 1.864277
H 3.179873 0.794235 0.490622
H -3.968627 -0.770188 0.350465
H -3.049592 -0.106492 1.701049
H 3.836928 2.078148 2.552168
H 2.207442 2.740291 2.702471
H 3.228010 3.196350 1.330245
H -5.482593 0.504200 1.901754
H -5.448361 1.306152 0.330019
H -4.529078 1.974306 1.686305
H -1.002987 -3.432632 -1.351512
H -0.877955 -2.215385 -0.076543
H 1.725744 -1.410846 0.195667
H 3.418532 -2.716737 1.540899
H 4.009310 -2.418620 -0.130027
H 3.303308 -4.001211 0.301974


%chk=000216830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216830

0 1
S -0.329336 -1.420245 -2.407593
S -0.610216 2.285914 -2.450567
P -0.395575 0.575423 -1.323613
O 1.035320 0.389898 -0.346030
O -1.540037 0.345601 -0.020900
O 1.034586 -4.514796 -0.427633
N 1.961268 -2.374472 -0.227186
C 1.407339 1.514577 0.569030
C -2.972625 0.680056 -0.268709
C 2.696151 1.103904 1.284567
C -3.686947 0.576087 1.080313
C 3.173015 2.218489 2.244079
C -5.192860 0.894015 0.936452
C -0.400245 -2.614136 -0.910690
C 0.941216 -3.248642 -0.514070
C 3.292821 -2.844173 0.167637
H 0.577812 1.676289 1.282645
H 1.554471 2.425793 -0.041757
H -3.387698 -0.039889 -1.001318
H -3.037892 1.701955 -0.690274
H 2.516953 0.169618 1.849574
H 3.476885 0.892489 0.529777
H -3.549350 -0.443464 1.485764
H -3.213558 1.276870 1.792682
H 4.101584 1.915592 2.758732
H 2.413875 2.435260 3.018217
H 3.380929 3.157258 1.698356
H -5.700986 0.813409 1.913364
H -5.688655 0.192118 0.240472
H -5.354453 1.919790 0.556354
H -1.082812 -3.419098 -1.221995
H -0.852477 -2.051663 -0.074069
H 1.783804 -1.361224 -0.305340
H 3.583564 -2.433281 1.152688
H 4.056565 -2.553181 -0.577787
H 3.260264 -3.943440 0.234929


