%chk=000194418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194418

0 1
S -0.322757 3.063469 -0.486147
O -3.151218 -1.277611 0.996485
O 1.970227 0.894987 -1.122901
O 2.844519 1.574369 0.826639
N -1.812340 -1.703568 -0.806482
N 4.709621 -0.672727 0.653367
N -4.470228 0.868843 -0.099654
C 1.212213 -1.969560 -0.193734
C 0.065282 -2.521072 0.658240
C 2.448871 -1.671450 0.662071
C -1.174348 -2.884207 -0.173453
C 3.401758 -0.677556 -0.034668
C -3.338126 0.276521 -0.852442
C -2.270168 1.348981 -1.147796
C -2.748501 -0.946225 -0.108135
C -1.421186 1.712678 0.061762
C 2.741875 0.711270 -0.017169
C 0.455651 3.610273 1.045057
H 1.475311 -2.687778 -0.994450
H 0.879938 -1.048016 -0.718478
H 0.399975 -3.422223 1.210395
H -0.220195 -1.786010 1.439425
H 2.156211 -1.282605 1.657870
H 3.006383 -2.610562 0.867936
H -1.927782 -3.377967 0.489775
H -0.916966 -3.609511 -0.975803
H 3.563508 -0.989146 -1.103642
H -3.758351 -0.084900 -1.833889
H -2.802719 2.254848 -1.528579
H -1.631042 1.008265 -1.987105
H -1.355403 -1.337378 -1.634546
H -2.045362 2.052894 0.909549
H -0.822443 0.857559 0.426654
H 5.368044 -0.048061 0.195535
H 4.622039 -0.369169 1.621482
H -4.149007 1.271982 0.778541
H -5.145129 0.145323 0.150868
H 1.475918 1.787807 -1.131890
H 0.957085 4.568458 0.847835
H 1.227488 2.899373 1.387609
H -0.265549 3.767501 1.852467


%chk=000194418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194418

0 1
S -0.224825 3.239914 -0.692254
O -2.980799 -1.341936 1.215522
O 2.030706 1.053891 -1.143170
O 2.412011 1.334128 1.133930
N -1.818307 -1.783407 -0.745784
N 4.635755 -0.586980 0.744087
N -4.150955 0.908101 0.289599
C 1.187096 -2.044703 -0.245131
C 0.100961 -2.793138 0.556125
C 2.465464 -1.772588 0.581273
C -1.199475 -3.030483 -0.248153
C 3.365666 -0.645498 -0.001266
C -3.247883 0.252089 -0.659061
C -2.134662 1.232242 -1.167117
C -2.663508 -1.017560 0.027510
C -1.338117 1.853881 -0.012610
C 2.574789 0.677581 0.070337
C 0.403441 3.960354 0.936816
H 1.452279 -2.621907 -1.155537
H 0.764229 -1.085317 -0.600054
H 0.481963 -3.777709 0.894891
H -0.151769 -2.217608 1.467304
H 2.189477 -1.490195 1.618172
H 3.093517 -2.679914 0.646614
H -1.942870 -3.533809 0.394938
H -0.999049 -3.677877 -1.122789
H 3.581366 -0.862649 -1.061837
H -3.787503 -0.104112 -1.567364
H -2.644417 2.040195 -1.726010
H -1.457519 0.723726 -1.884339
H -1.575144 -1.455962 -1.681505
H -2.038954 2.307332 0.707238
H -0.693956 1.122370 0.505273
H 5.342324 0.011506 0.300853
H 4.492926 -0.319609 1.726527
H -4.249552 0.375418 1.162892
H -5.027823 1.255561 -0.099327
H 1.414002 1.874590 -1.051364
H 0.990129 4.855180 0.677548
H 1.041695 3.216989 1.438265
H -0.459613 4.246012 1.557558


