%chk=000193846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193846

0 1
S 1.186967 -2.326194 -2.402499
O 0.853305 0.644269 1.233904
O 4.048078 1.122320 -1.889714
O 0.013281 -5.300646 -0.132191
O -4.216734 2.238967 -0.900004
O -4.725745 1.004855 0.899303
O 1.880588 -3.200230 -0.008236
O 2.296691 3.860795 0.214599
O 4.150299 5.102588 0.369636
N 0.955177 0.311023 -1.011767
N 3.501791 1.493553 0.304649
N -3.453824 3.321368 2.237770
C 2.302376 -0.291655 -0.929513
C -1.687294 1.774357 1.251111
C -1.126462 1.208556 -0.055914
C -2.902654 2.691567 1.015600
C 2.583844 -1.213155 -2.113108
C 0.286211 0.704919 0.150468
C 3.353864 0.852786 -0.925871
C -0.217957 -4.112866 -0.875196
C -4.044647 1.874087 0.413513
C 1.067273 -3.276572 -0.879012
C -1.344511 -3.280384 -0.303887
C 4.375840 2.667620 0.405150
C -1.203762 -2.654957 0.943969
C -2.539468 -3.148981 -1.022893
C -2.256728 -1.901368 1.467224
C -3.587936 -2.388194 -0.495841
C 3.660486 4.000599 0.327615
C -3.448176 -1.763595 0.746875
H 2.389339 -0.877152 0.039299
H -1.948670 0.940282 1.936702
H -0.892471 2.341259 1.785040
H -1.769057 0.372534 -0.417602
H -1.154159 1.976959 -0.858142
H -2.629486 3.516474 0.296035
H 2.761584 -0.642238 -3.054348
H 3.518324 -1.789804 -1.936717
H 0.528122 0.369288 -1.933231
H -0.451887 -4.522006 -1.893137
H 2.784097 1.390757 1.040298
H -2.783947 3.962440 2.652497
H -3.704204 2.627267 2.939517
H 4.945368 2.626764 1.368688
H 5.148084 2.642219 -0.417782
H -0.273376 -2.748381 1.507214
H -2.659313 -3.641105 -1.987646
H -2.149747 -1.425822 2.442004
H -4.519824 -2.289826 -1.051687
H 0.180712 -5.100066 0.821284
H -4.974802 1.768505 -1.340302
H -4.269498 -1.164645 1.154444
H 1.835536 4.742265 0.152635


%chk=000193846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193846

0 1
S 0.779898 -1.945851 -2.622091
O 0.670880 1.199953 1.073487
O 4.384094 0.861621 -1.595695
O 0.041963 -5.372726 -0.576775
O -3.566269 0.538236 -0.074232
O -3.900789 0.891487 2.197993
O 1.715754 -3.160252 -0.352893
O 3.103559 4.063908 0.229383
O 4.983286 4.591876 1.488514
N 0.999772 0.900336 -1.194719
N 3.482219 1.369803 0.504643
N -3.824400 3.634610 1.786900
C 2.137849 -0.019965 -0.997446
C -1.639278 2.878086 0.719019
C -0.984634 2.176480 -0.494271
C -3.211551 2.783559 0.763774
C 2.336249 -0.956936 -2.195732
C 0.288555 1.409610 -0.128095
C 3.451403 0.777995 -0.739540
C -0.386914 -4.106788 -1.176825
C -3.609858 1.339305 1.064483
C 0.808987 -3.136449 -1.220053
C -1.578513 -3.487665 -0.435098
C 4.581730 2.237538 0.898805
C -1.402052 -2.782853 0.784082
C -2.886921 -3.686209 -0.940356
C -2.521600 -2.290965 1.489720
C -4.009511 -3.199167 -0.233939
C 4.271854 3.733985 0.924699
C -3.830586 -2.498813 0.984467
H 1.918603 -0.611476 -0.090240
H -1.223996 2.455442 1.652781
H -1.388457 3.955740 0.716177
H -1.692964 1.442798 -0.927218
H -0.753134 2.901745 -1.298336
H -3.603790 3.040557 -0.239264
H 2.608523 -0.411296 -3.113278
H 3.132135 -1.681854 -1.968375
H 0.706875 1.119848 -2.149091
H -0.687764 -4.370609 -2.205343
H 2.619728 1.315032 1.074347
H -3.464010 4.589482 1.831623
H -3.928950 3.178159 2.697941
H 4.968959 1.972663 1.898741
H 5.404041 2.083850 0.172994
H -0.395578 -2.611934 1.183708
H -3.027538 -4.236257 -1.878422
H -2.384132 -1.733937 2.422300
H -5.018069 -3.369492 -0.625967
H 0.617014 -5.165408 0.207999
H -3.705766 -0.426292 0.166306
H -4.696219 -2.140813 1.553152
H 2.980210 5.051699 0.266056


