%chk=000292056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292056

0 1
S -1.945695 -2.395053 -0.057190
O -2.343890 -2.722376 -1.396076
O -2.603698 -2.996020 1.087943
O 2.548737 -0.571334 -1.534295
O -0.827430 3.696840 -1.197405
O 0.062974 2.008833 -2.213209
N -0.283223 -2.873447 0.167844
N 0.587823 -1.931820 -0.423229
N -0.673613 2.499383 -1.370717
C -2.012898 -0.666116 0.156767
C -1.367901 0.194748 -0.730595
C 1.405040 -1.116525 0.446897
C -2.730394 -0.152866 1.243470
C -1.414545 1.579160 -0.488863
C 2.378002 -0.289901 -0.194261
C -2.801824 1.229281 1.457697
C -2.139413 2.103221 0.597376
C 1.218867 -0.980713 1.823709
C 3.104099 0.658691 0.521714
C 1.961881 -0.033729 2.546005
C 2.889255 0.781389 1.902117
C 2.964037 0.526400 -2.388303
H 0.005720 -3.292497 1.066793
H -0.814128 -0.182984 -1.606714
H -3.241992 -0.838470 1.936061
H 1.170631 -2.416345 -1.141763
H -3.372274 1.621317 2.301078
H -2.171701 3.188393 0.755088
H 0.495652 -1.596324 2.355162
H 3.834440 1.291644 0.023343
H 1.804939 0.059171 3.619485
H 3.457958 1.518811 2.467808
H 3.975521 0.848839 -2.133051
H 2.235017 1.345301 -2.323556
H 2.934023 0.057599 -3.380628


%chk=000292056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292056

0 1
S -2.304385 -1.328362 1.133313
O -0.780422 -1.331570 0.109651
O -3.296934 -2.584228 0.758658
O 1.873971 0.396646 0.321525
O -2.603645 4.347257 -2.017328
O -0.798574 3.427906 -0.976630
N 0.966811 -2.546374 2.742275
N 1.307990 -1.877414 1.692191
N -2.037791 3.399223 -1.351482
C -3.041427 0.077951 0.088354
C -2.259402 1.203313 -0.201567
C 2.673704 -1.622306 1.322150
C -4.356668 -0.075113 -0.383031
C -2.848138 2.209802 -0.996396
C 2.942311 -0.454664 0.534444
C -4.922255 0.956918 -1.171501
C -4.173379 2.110800 -1.481295
C 3.722330 -2.528480 1.629607
C 4.263380 -0.223600 0.071477
C 5.029291 -2.289514 1.167661
C 5.291640 -1.134273 0.390616
C 2.062721 1.552138 -0.577983
H 1.806540 -2.824542 3.341278
H -1.223140 1.284154 0.134482
H -4.894766 -1.004124 -0.159021
H 0.032843 -1.532405 0.737945
H -5.943954 0.855328 -1.550481
H -4.584015 2.918777 -2.092361
H 3.498557 -3.450606 2.180559
H 4.490604 0.661344 -0.528731
H 5.829302 -3.004134 1.382183
H 6.305395 -0.946630 0.020812
H 2.384058 1.216504 -1.581004
H 2.799873 2.259175 -0.153702
H 1.077573 2.033603 -0.640163


