%chk=000218771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218771

0 1
S -7.535298 -1.075651 -0.821449
S -8.171950 -0.641968 1.086453
O 1.032649 1.023530 -0.420306
O -8.508390 0.981234 0.850501
O -9.427647 -1.270089 1.325317
O -7.071961 -0.705129 1.987819
N -3.703919 0.281731 -0.589751
N 2.752485 -0.502685 0.034889
C -1.260582 0.592464 -0.484615
C -2.417060 -0.377492 -0.205274
C 0.081021 -0.087615 -0.237317
C 5.071822 0.340797 -0.004155
C 4.581719 1.660257 -0.333961
C 4.123772 -0.707357 0.170389
C -4.887654 -0.568950 -0.248536
C 2.356513 0.739757 -0.271330
C 3.228547 1.861703 -0.467590
C 6.456167 0.038438 0.154466
C 6.874025 -1.236756 0.469447
C 4.571494 -2.029077 0.497765
C -6.073603 -0.008095 -1.030774
C 5.910151 -2.280897 0.642019
C 5.535729 2.790687 -0.527140
C 8.322136 -1.565463 0.638182
H -1.338945 1.502158 0.145142
H -1.313082 0.961758 -1.531641
H -2.395048 -0.706879 0.856978
H -2.304907 -1.292821 -0.830362
H 0.322852 -0.874094 -0.972011
H 0.201763 -0.477120 0.787705
H -3.785264 1.186951 -0.111124
H -5.105114 -0.597312 0.847177
H -4.683889 -1.620051 -0.556560
H 2.791437 2.824963 -0.714116
H 7.184827 0.836412 0.022014
H -6.308533 1.038092 -0.749437
H -5.852120 0.010472 -2.122387
H 3.820149 -2.809648 0.624725
H 6.262083 -3.281931 0.890815
H 6.241185 2.582695 -1.345998
H 5.030623 3.735310 -0.773279
H 6.129029 2.972781 0.381837
H 8.527712 -1.949823 1.647640
H 8.640557 -2.337699 -0.076844
H 8.976190 -0.697584 0.485787
H -9.376872 1.304195 1.144390


%chk=000218771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218771

0 1
S -7.502893 -1.100578 -1.050704
S -8.688076 -0.289773 0.972795
O 1.140956 1.155982 -0.383904
O -10.190464 0.386161 0.111041
O -9.200008 -1.423748 2.007270
O -7.817426 0.952063 1.557056
N -3.659685 0.198282 -0.268490
N 2.848210 -0.412844 0.069742
C -1.218524 0.664934 -0.321780
C -2.319592 -0.395942 -0.121433
C 0.174845 0.058312 -0.141009
C 5.220337 0.338538 -0.055607
C 4.776937 1.673265 -0.415885
C 4.211465 -0.671933 0.177426
C -4.814810 -0.704849 -0.248617
C 2.490259 0.830459 -0.262246
C 3.406238 1.905537 -0.515468
C 6.598912 -0.020367 0.078552
C 6.995707 -1.319281 0.428919
C 4.624016 -1.992513 0.533417
C -6.035194 0.034582 -0.832777
C 5.979342 -2.305829 0.655724
C 5.772563 2.784110 -0.677355
C 8.459960 -1.694263 0.569979
H -1.348474 1.490000 0.406323
H -1.309434 1.101882 -1.332238
H -2.187457 -0.890090 0.872986
H -2.216473 -1.192622 -0.884958
H 0.371684 -0.760321 -0.859142
H 0.331940 -0.343231 0.877896
H -3.793236 1.061722 0.272561
H -5.072987 -1.093651 0.764084
H -4.573559 -1.583273 -0.877573
H 3.005252 2.886757 -0.782865
H 7.367905 0.740692 -0.096667
H -6.361582 0.851874 -0.154718
H -5.810702 0.478510 -1.819703
H 3.843482 -2.740328 0.704909
H 6.279449 -3.324777 0.930332
H 6.456884 2.523427 -1.506605
H 5.258597 3.722509 -0.942594
H 6.400495 2.978870 0.212496
H 8.683661 -2.062245 1.589317
H 8.736666 -2.503091 -0.132756
H 9.121533 -0.834062 0.370069
H -10.931921 0.405340 0.787699


