%chk=000188407.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188407

0 1
S 4.147009 0.696720 1.265287
O 0.474775 0.716609 -2.155199
O 2.530013 0.691075 0.717395
O 0.917778 -2.303285 -0.767344
O 4.354925 1.971304 1.891531
O 4.922851 0.345232 0.100196
O 2.216473 -2.659976 1.047729
N -1.154401 2.125369 -1.185367
N -3.427280 2.452539 -1.401315
N -1.149562 1.183554 1.143545
N -5.353125 1.757540 1.001119
N -3.386411 1.078631 2.129168
C 2.242987 1.094418 -0.613655
C 1.407098 -0.017517 -1.314714
C 1.303688 2.314775 -0.568845
C 0.248590 2.046871 -1.645409
C 0.627172 -0.929615 -0.368656
C -1.739576 1.698555 0.016842
C -2.250979 2.551186 -2.019069
C -3.156754 1.925232 -0.125316
C 1.900689 -4.469975 -0.625795
C 1.736826 -3.073746 0.015175
C -3.997952 1.595776 0.988663
C 4.042647 -0.580405 2.408869
C 2.842194 -5.290217 0.262200
C 0.513357 -5.117909 -0.696710
C 2.497745 -4.279818 -2.024582
C -2.035270 0.908225 2.142464
C -6.178638 1.406159 2.177101
C -6.070264 2.293412 -0.176059
H 3.182334 1.298135 -1.176217
H 1.996984 -0.610998 -2.048434
H 1.836214 3.264996 -0.731260
H 0.869928 2.391027 0.459095
H 0.346425 2.698945 -2.549651
H -0.465022 -0.848752 -0.529251
H 0.871821 -0.767107 0.701108
H -2.085988 2.909049 -3.025462
H 3.866418 -0.248338 3.443727
H 3.200608 -1.287474 2.190344
H 4.927357 -1.235079 2.437864
H 2.456122 -5.383367 1.285298
H 2.978796 -6.301621 -0.135531
H 3.833660 -4.826773 0.339671
H 0.074801 -5.259586 0.297649
H 0.560750 -6.102045 -1.176345
H -0.185234 -4.500990 -1.280018
H 1.851465 -3.649285 -2.651648
H 2.615591 -5.240846 -2.537958
H 3.485759 -3.806144 -1.989251
H -1.611655 0.495247 3.074511
H -5.555894 1.026499 3.013629
H -6.902406 0.615515 1.917283
H -6.721940 2.292911 2.544408
H -5.705358 3.308111 -0.430625
H -7.152939 2.346515 0.007833
H -5.894802 1.658234 -1.066920


%chk=000188407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188407

0 1
S 4.882420 0.974193 1.026999
O 0.556440 0.533709 -1.503152
O 2.975214 1.070698 1.237209
O 0.920433 -2.336426 -0.068714
O 5.542792 2.134922 1.930839
O 5.176322 0.912705 -0.569582
O 3.161061 -2.716761 0.411444
N -1.219735 2.076911 -0.910714
N -3.369949 2.637769 -1.489613
N -1.661520 0.909256 1.241601
N -5.749998 1.829283 0.463771
N -4.047150 0.882254 1.805384
C 2.277676 1.280452 -0.026833
C 1.619903 -0.007431 -0.612382
C 1.078159 2.235143 0.165700
C 0.224580 1.928157 -1.084821
C 1.054437 -0.948028 0.461430
C -2.040643 1.589850 0.118475
C -2.081493 2.680432 -1.846285
C -3.371811 1.951385 -0.250926
C 1.798625 -4.521527 -0.640130
C 2.062644 -3.128508 -0.044470
C -4.417513 1.565966 0.658760
C 5.131269 -0.717901 1.843044
C 3.083742 -5.374485 -0.525559
C 0.629101 -5.195269 0.135098
C 1.399778 -4.343455 -2.136070
C -2.737788 0.599229 2.027424
C -6.758059 1.407156 1.453299
C -6.227327 2.553255 -0.732180
H 2.981559 1.678229 -0.786285
H 2.321056 -0.551582 -1.267207
H 1.381962 3.291866 0.209296
H 0.531210 1.968738 1.084747
H 0.496356 2.584576 -1.933148
H 0.035399 -0.651345 0.755139
H 1.723618 -0.962423 1.339426
H -1.702180 3.130168 -2.761793
H 4.790400 -0.585323 2.878921
H 4.509846 -1.430532 1.278536
H 6.209733 -0.921349 1.777659
H 3.387323 -5.503157 0.528110
H 2.902800 -6.373282 -0.962619
H 3.925868 -4.904022 -1.062020
H 0.882438 -5.332699 1.202399
H 0.429774 -6.191870 -0.299615
H -0.290152 -4.590178 0.069370
H 0.492640 -3.723959 -2.232604
H 1.201844 -5.335840 -2.580479
H 2.213369 -3.866930 -2.713338
H -2.517831 0.053444 2.950246
H -6.243382 0.894465 2.278130
H -7.488100 0.717734 0.988236
H -7.302142 2.286839 1.846694
H -5.814451 3.576121 -0.776103
H -7.326821 2.606468 -0.687623
H -5.923349 2.040410 -1.660022


