%chk=000187137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187137

0 1
S 3.898466 -0.165740 1.132233
S 2.926541 1.590587 1.262685
O -1.110356 -0.936584 -0.511685
O 0.447769 1.399151 0.345970
O 0.651606 2.394578 -1.733916
N 3.044680 -1.605897 1.072943
N 2.463076 2.216187 -0.261416
C -2.243315 -1.886473 -0.830170
C -3.553808 -1.079737 -0.595783
C -3.077591 0.266626 -0.145871
C -1.654473 0.265736 -0.140132
C -2.063073 -3.034386 0.147241
C -2.005040 -2.275642 -2.276346
C -3.778569 1.401933 0.216220
C -0.950030 1.410723 0.233421
C -3.059017 2.554701 0.592321
C -1.666672 2.566493 0.596766
C 2.144256 -1.929463 2.201598
C 2.694841 -2.144641 -0.263611
C 0.739651 -1.317264 2.104142
C 1.967567 -1.159609 -1.189361
C -0.104791 -1.690548 3.328486
C 1.524838 -1.827826 -2.497827
C 1.150652 2.041940 -0.690331
C -1.530658 -1.158297 3.206582
C 1.106516 -0.782835 -3.530337
C 3.483860 2.700726 -1.209700
H -4.203323 -1.557459 0.159721
H -4.160658 -1.007814 -1.517450
H -2.834709 -3.800938 0.029722
H -2.093617 -2.668496 1.193158
H -1.086114 -3.518596 0.020107
H -0.945339 -2.567392 -2.425598
H -2.178462 -1.432528 -2.958506
H -2.636430 -3.110524 -2.592165
H -4.865955 1.415077 0.210157
H -3.605112 3.452352 0.877228
H -1.111905 3.461607 0.878093
H 2.637032 -1.604213 3.148264
H 2.070974 -3.041230 2.262205
H 2.079695 -3.063375 -0.131412
H 3.650941 -2.470674 -0.740111
H 0.797589 -0.210655 2.009221
H 0.234236 -1.641099 1.169198
H 1.074609 -0.731561 -0.676506
H 2.627749 -0.302368 -1.423906
H 0.365669 -1.284255 4.246096
H -0.126453 -2.789826 3.458462
H 2.336236 -2.457802 -2.908212
H 0.665870 -2.509404 -2.296978
H -1.541724 -0.070850 3.056787
H -2.118173 -1.375072 4.103887
H -2.051764 -1.605012 2.343079
H 0.350513 -0.095637 -3.121238
H 0.683696 -1.247300 -4.426003
H 1.953201 -0.163793 -3.847940
H 4.139225 3.434180 -0.706705
H 3.006169 3.202622 -2.073778
H 4.107807 1.875398 -1.595298


%chk=000187137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187137

0 1
S 4.219589 -0.171855 1.277128
S 2.947935 1.959692 1.174170
O -1.314355 -0.744229 -0.611870
O 0.188261 1.620432 0.396534
O 0.413407 2.080227 -1.908159
N 3.196176 -1.561365 1.312132
N 2.274424 2.123049 -0.469252
C -2.444372 -1.612605 -1.200065
C -3.755697 -1.005154 -0.597291
C -3.327958 0.378549 -0.132468
C -1.914058 0.433029 -0.150668
C -2.152185 -3.047078 -0.752253
C -2.375788 -1.433426 -2.725952
C -4.078468 1.475911 0.320749
C -1.231483 1.580280 0.293810
C -3.395040 2.637488 0.765357
C -1.982305 2.683046 0.755593
C 2.377440 -1.852589 2.515058
C 2.869132 -2.266906 0.042403
C 0.924516 -1.323827 2.431925
C 2.238085 -1.383984 -1.057303
C 0.115896 -1.672466 3.702714
C 1.947635 -2.178608 -2.351490
C 0.926608 1.944102 -0.770294
C -1.347503 -1.186851 3.614688
C 1.569950 -1.246969 -3.524621
C 3.207772 2.455676 -1.564982
H -4.116444 -1.612450 0.255842
H -4.560284 -0.975934 -1.353131
H -2.927213 -3.733667 -1.139128
H -2.140121 -3.117265 0.349530
H -1.171691 -3.381179 -1.135139
H -1.384201 -1.730973 -3.105660
H -2.547792 -0.378579 -3.003422
H -3.144293 -2.057201 -3.219317
H -5.173124 1.436774 0.337447
H -3.960234 3.504703 1.121254
H -1.442570 3.569209 1.104605
H 2.894581 -1.402055 3.381066
H 2.371875 -2.953142 2.660273
H 2.182040 -3.093970 0.306186
H 3.800856 -2.721857 -0.349168
H 0.942660 -0.227992 2.281526
H 0.416968 -1.753077 1.545589
H 1.303129 -0.926456 -0.686616
H 2.943601 -0.561509 -1.284777
H 0.603705 -1.215735 4.588068
H 0.133664 -2.770374 3.867120
H 2.835466 -2.784349 -2.629641
H 1.124378 -2.899045 -2.163306
H -1.392641 -0.090413 3.479622
H -1.916278 -1.443515 4.527485
H -1.863333 -1.646108 2.749416
H 0.744060 -0.569478 -3.241734
H 1.263878 -1.821032 -4.419113
H 2.429435 -0.611530 -3.810086
H 3.678947 3.435219 -1.373726
H 2.644328 2.491679 -2.510178
H 3.997434 1.685537 -1.628780


