%chk=000285068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285068

0 1
S 0.022847 -2.849450 -0.117383
O -6.711339 2.699123 0.622354
O 6.885927 2.583031 -0.420784
O 0.031164 -3.636987 1.107218
O 0.038309 -3.523393 -1.406589
N -4.817679 0.694519 -0.073678
N 4.597969 1.015259 0.211138
N -3.615071 -0.095759 -2.508796
N 3.901539 -0.603385 2.420091
C -4.490514 2.150546 -0.255287
C -5.736073 0.503878 1.095372
C 5.944537 0.367784 0.041288
C 4.479088 2.215657 -0.678636
C -3.616796 -0.119505 -0.023519
C 3.521708 0.053546 0.057108
C -5.804989 2.913382 -0.479006
C -7.019811 1.304470 0.820016
C 7.022756 1.402049 0.396659
C 5.591311 3.202318 -0.284974
C -1.370935 -1.799232 -0.077783
C 1.365963 -1.738469 -0.055996
C -3.089022 -0.566837 -1.273665
C 3.141970 -0.682135 1.222111
C -3.004584 -0.529046 1.167382
C 2.821606 -0.144393 -1.139224
C -1.964384 -1.412965 -1.278030
C 2.057037 -1.575809 1.143142
C -1.889380 -1.373203 1.142172
C 1.747076 -1.037940 -1.197725
H -3.823279 2.260554 -1.138776
H -3.948835 2.571951 0.618946
H -5.289872 0.834308 2.058604
H -5.969549 -0.578653 1.188199
H 6.101976 -0.009107 -0.992621
H 6.009541 -0.510692 0.721476
H 3.481002 2.676625 -0.520351
H 4.566679 1.967443 -1.758989
H -5.660161 4.008149 -0.456827
H -6.301937 2.611401 -1.417468
H -7.560227 0.924565 -0.064670
H -7.689818 1.331394 1.697474
H 6.978975 1.694720 1.460144
H 8.037550 1.051356 0.136754
H 5.660128 4.052888 -0.985875
H 5.471144 3.565985 0.750515
H -3.395169 -0.193212 2.127496
H 3.117136 0.390848 -2.041223
H -1.566944 -1.783179 -2.229208
H 1.768098 -2.161024 2.023813
H -1.440198 -1.703684 2.082771
H 1.226152 -1.190849 -2.146005
H -4.586161 0.206338 -2.457077
H -3.482930 -0.730860 -3.287773
H 4.405693 0.271706 2.540770
H 3.394479 -0.849723 3.260822


%chk=000285068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285068

0 1
S 0.041980 -2.776866 -0.315115
O -7.008541 2.679905 0.615624
O 7.322322 2.452180 -0.186064
O 0.126153 -3.715893 1.027419
O 0.026170 -3.392504 -1.835660
N -5.000908 0.661875 0.074881
N 4.829285 1.007196 0.111373
N -4.047545 -0.165646 -2.389423
N 3.872889 -0.311794 2.348843
C -4.794611 2.086433 -0.340495
C -5.848641 0.587453 1.290044
C 6.146017 0.305060 0.243404
C 4.939788 2.153496 -0.823952
C -3.817417 -0.154644 0.042444
C 3.690576 0.139670 -0.042140
C -6.156511 2.755380 -0.582184
C -7.196713 1.273170 1.008342
C 7.214185 1.300224 0.724231
C 6.016944 3.122245 -0.306179
C -1.512986 -1.711180 -0.154689
C 1.497643 -1.571987 -0.213952
C -3.328965 -0.546629 -1.255660
C 3.225919 -0.545233 1.137091
C -3.163331 -0.622778 1.206360
C 3.016364 -0.044327 -1.271739
C -2.144353 -1.320998 -1.343339
C 2.120716 -1.428928 1.032391
C -1.998575 -1.421565 1.127235
C 1.902371 -0.908844 -1.380387
H -4.185881 2.113201 -1.261395
H -4.245363 2.639219 0.455141
H -5.367431 1.092317 2.160911
H -6.014263 -0.473532 1.550588
H 6.451071 -0.122451 -0.738618
H 6.044795 -0.526698 0.962777
H 3.964104 2.669156 -0.880223
H 5.223350 1.824852 -1.851677
H -6.038574 3.831092 -0.792160
H -6.670792 2.264488 -1.438461
H -7.731491 0.726337 0.201691
H -7.823181 1.302139 1.914995
H 6.963844 1.655929 1.748709
H 8.213928 0.835970 0.730954
H 6.176477 3.952251 -1.014076
H 5.709217 3.527390 0.682288
H -3.558730 -0.354899 2.191324
H 3.375603 0.475366 -2.165836
H -1.753373 -1.670985 -2.305933
H 1.750317 -1.996090 1.894267
H -1.500976 -1.814075 2.018545
H 1.402144 -1.092147 -2.335477
H -5.015480 0.123812 -2.240606
H -3.783096 -0.531303 -3.300964
H 4.468135 0.515343 2.402922
H 3.519126 -0.724854 3.207506


