%chk=000259823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259823

0 1
S 2.203470 -0.030416 -1.570114
O 1.871242 2.866399 0.363139
O 4.038161 1.809449 0.838001
O 3.958377 -2.440313 -0.882476
O -4.321035 -1.869271 0.739682
N -0.136285 -0.028200 -0.247811
N -2.203238 1.394282 -0.652891
N -1.221256 -1.884266 0.553621
N -4.265757 0.274023 -0.096005
C 1.660455 1.485636 0.607241
C 0.940911 0.879789 -0.621364
C 3.029604 0.787993 0.877864
C 3.431302 -0.173997 -0.236643
C 3.504128 -1.638133 0.201585
C -1.511692 0.248764 -0.261042
C -0.023981 -1.366572 0.277138
C -2.167802 -0.908908 0.231572
C -3.634895 -0.967695 0.345262
C -3.632606 1.312260 -0.534207
H 0.547987 1.707983 -1.273060
H 1.003817 1.480904 1.510632
H 3.037915 0.308183 1.881783
H 4.429345 0.136664 -0.661048
H 2.532139 -2.020094 0.583023
H 4.290734 -1.791897 0.971501
H 2.684498 3.002623 -0.205680
H 0.937761 -1.854958 0.396308
H 3.941765 2.420273 1.608839
H -1.723481 2.222809 -0.981808
H 3.245254 -2.575805 -1.548078
H -4.161141 2.225591 -0.853365


%chk=000259823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259823

0 1
S 2.148888 -0.659182 -1.596717
O 1.964838 2.543934 -0.408438
O 3.570479 1.472997 1.519771
O 5.095792 -1.903300 -0.913193
O -4.665942 -1.309237 1.175352
N -0.359937 -0.274726 -0.381685
N -2.140956 1.481556 -0.614120
N -1.647349 -1.889727 0.612171
N -4.316030 0.821617 0.216363
C 1.472851 1.330522 0.228048
C 0.803013 0.478490 -0.875041
C 2.659245 0.535615 0.835398
C 3.456005 -0.120352 -0.307277
C 4.292195 -1.320675 0.160180
C -1.647134 0.239291 -0.252683
C -0.422719 -1.580317 0.172372
C -2.440331 -0.752592 0.358152
C -3.865918 -0.507348 0.634929
C -3.509135 1.690661 -0.342412
H 0.483233 1.147997 -1.691600
H 0.728944 1.579472 1.015184
H 2.277052 -0.236406 1.534593
H 4.102106 0.626445 -0.796199
H 3.635265 -2.080118 0.637290
H 5.029439 -0.965567 0.901278
H 2.747154 2.854169 0.126376
H 0.441451 -2.237565 0.164687
H 3.346089 1.537985 2.481579
H -1.571343 2.214054 -1.043831
H 4.504557 -2.381894 -1.549046
H -3.886102 2.677302 -0.639881


