%chk=000255532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255532

0 1
S 3.716801 -1.446175 -1.331480
O -0.717393 -0.921513 -1.122864
O 0.701148 1.011241 0.918000
O -0.482791 -2.114754 2.019843
O 2.351675 -2.026406 -0.474097
O 3.197909 -1.032061 -2.609709
O 4.691678 -2.499000 -1.241159
N -2.584244 -0.035121 0.003746
N -4.544141 -1.017963 0.713883
N -3.578976 1.828085 -1.356235
N -6.028479 1.802701 -1.331702
N -7.293645 0.201702 -0.135386
C -0.330726 0.032871 1.047635
C 0.268572 -1.395911 1.031440
C -1.146506 0.143601 -0.271618
C -0.046582 -1.975471 -0.368118
C 1.173426 -2.356181 -1.218973
C -3.629179 0.713742 -0.558265
C -3.214577 -1.091475 0.757652
C -4.843394 0.094517 -0.096336
C -6.070742 0.686405 -0.517720
C 4.150154 -0.127672 -0.335234
C -4.807361 2.304619 -1.698167
C 5.361251 -0.160658 0.373157
C 3.315329 0.991997 -0.232722
C 5.738942 0.916988 1.168469
C 3.690166 2.075105 0.564188
C 4.906277 2.049263 1.265814
C 5.325804 3.207736 2.104600
H -0.927568 0.219753 1.967097
H 1.353073 -1.411839 1.277520
H -0.969223 1.084243 -0.856748
H -0.777867 -2.812249 -0.305201
H 1.143068 -1.808092 -2.191961
H 1.214349 -3.445916 -1.406144
H 1.129643 1.174588 1.787168
H -0.005685 -2.928691 2.289023
H -2.615874 -1.823511 1.295676
H -4.831230 3.198120 -2.346218
H 6.014184 -1.039936 0.298807
H 2.354368 1.024901 -0.765441
H -8.143519 0.623061 -0.474977
H -7.354993 -0.634634 0.424460
H 6.682057 0.887981 1.711897
H 3.037937 2.945686 0.625958
H 5.654884 2.893614 3.106215
H 6.174697 3.738775 1.643546
H 4.528301 3.950234 2.245884


%chk=000255532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255532

0 1
S 3.851861 -1.535833 -0.990362
O -0.132746 -1.553038 -0.621160
O 1.253766 -1.267678 2.265160
O -1.556119 -3.510105 1.520123
O 2.558608 -2.440702 0.170238
O 3.339771 -1.852021 -2.497312
O 5.316046 -1.987687 -0.487083
N -1.849785 -0.254092 0.493299
N -4.147220 -0.212647 0.546237
N -1.439034 2.021671 -0.452577
N -3.540186 3.236443 -0.868770
N -5.667762 2.309142 -0.416419
C -0.086952 -1.584676 1.805072
C -0.175679 -3.048582 1.300115
C -0.464463 -0.723650 0.563194
C 0.167432 -2.948004 -0.212161
C 1.624647 -3.290303 -0.576419
C -2.231755 1.001191 -0.008668
C -3.044928 -0.939120 0.800518
C -3.650385 1.004745 0.039885
C -4.305135 2.185920 -0.415010
C 3.510253 0.232076 -0.499156
C -2.180721 3.097354 -0.861747
C 4.444255 0.867888 0.333614
C 2.325319 0.829498 -0.962442
C 4.164137 2.199050 0.714217
C 2.065391 2.151306 -0.547056
C 2.978097 2.853391 0.288422
C 2.676839 4.276440 0.714906
H -0.757540 -1.412458 2.659507
H 0.539034 -3.680961 1.859694
H 0.168436 0.177461 0.524155
H -0.490216 -3.618720 -0.802206
H 1.774938 -3.119655 -1.663200
H 1.846955 -4.351419 -0.347198
H 1.913445 -1.597444 1.576274
H -1.632130 -4.469258 1.289824
H -3.020152 -1.953199 1.194000
H -1.618275 3.959002 -1.235194
H 5.347111 0.348061 0.668473
H 1.620425 0.286684 -1.600444
H -6.086639 3.172454 -0.755613
H -6.244726 1.538629 -0.085599
H 4.872217 2.727421 1.361905
H 1.117125 2.611360 -0.844734
H 3.351928 4.615846 1.518194
H 2.788867 4.974641 -0.136362
H 1.636642 4.369880 1.075068


