%chk=000279688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279688

0 1
S 0.105897 -1.687894 0.785489
O -4.294829 -0.814974 0.070307
O -2.352653 3.406137 0.247673
O 0.448661 -2.703777 -0.170693
O 0.206669 -1.946620 2.207487
O 0.236530 0.210180 -1.735879
N -1.515078 -1.155875 0.504791
N 0.056766 2.002575 -0.348683
C 0.998362 -0.154203 0.511760
C -2.484649 -1.378443 1.616680
C -2.111987 -1.521743 -0.813827
C 0.378847 0.661598 -0.607713
C 2.443458 -0.460142 0.222536
C -0.665435 2.764433 -1.408084
C -0.196444 2.540582 1.011788
C -3.710485 -0.490069 1.346234
C -3.370550 -0.665959 -1.026538
C -2.161053 2.859009 -1.073802
C -1.709720 2.631918 1.277702
C 3.417783 -0.164863 1.189001
C 2.822823 -1.035875 -0.999988
C 4.762078 -0.445387 0.929654
C 4.168523 -1.311740 -1.251480
C 5.139986 -1.016853 -0.289434
H 0.948948 0.427313 1.481095
H -2.009549 -1.116151 2.589229
H -2.800511 -2.444272 1.691060
H -2.368451 -2.603720 -0.870995
H -1.369596 -1.320284 -1.626661
H -0.508473 2.274596 -2.398833
H -0.210727 3.779185 -1.465282
H 0.261510 3.557239 1.064564
H 0.308674 1.918357 1.785566
H -4.540136 -0.689374 2.046746
H -3.439000 0.587774 1.358329
H -3.118602 0.413057 -1.137687
H -3.969201 -1.010502 -1.888365
H -2.691630 3.590220 -1.709175
H -2.663505 1.865585 -1.131157
H -2.192428 1.630407 1.328700
H -1.940047 3.212847 2.188723
H 3.135294 0.272459 2.144507
H 2.060430 -1.274745 -1.751320
H 5.516156 -0.219779 1.682214
H 4.457974 -1.762492 -2.200425
H 6.187874 -1.235236 -0.487815


%chk=000279688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279688

0 1
S 0.076550 -1.516383 1.002219
O -4.504243 -1.482890 -0.100442
O -2.243018 3.873647 0.337384
O 0.576292 -2.843694 0.201889
O 0.104080 -1.497508 2.638787
O 0.267285 0.305860 -1.754403
N -1.746442 -1.030743 0.495974
N -0.042913 2.145119 -0.366886
C 1.242932 0.176994 0.466794
C -2.684624 -1.434400 1.586919
C -2.113968 -1.703837 -0.786340
C 0.453104 0.873391 -0.624108
C 2.603752 -0.330600 0.159665
C -0.829956 2.829436 -1.423888
C -0.026934 2.905873 0.903457
C -4.072887 -0.893346 1.172604
C -3.526363 -1.189317 -1.155428
C -2.260586 3.091940 -0.912886
C -1.478956 3.160343 1.370360
C 3.553628 -0.382882 1.221605
C 2.979613 -0.795407 -1.132712
C 4.858008 -0.860918 0.992369
C 4.288079 -1.269430 -1.355083
C 5.230248 -1.302718 -0.299906
H 1.178893 0.629442 1.464067
H -2.355055 -0.988905 2.540546
H -2.744384 -2.536377 1.709629
H -2.127711 -2.808605 -0.688716
H -1.392688 -1.413023 -1.568451
H -0.834451 2.185172 -2.317703
H -0.337477 3.790875 -1.666484
H 0.470818 3.878939 0.722653
H 0.534067 2.378949 1.689140
H -4.835495 -1.185019 1.913019
H -4.033858 0.214452 1.089321
H -3.484454 -0.094703 -1.340668
H -3.894301 -1.703841 -2.057861
H -2.830695 3.701500 -1.632268
H -2.781583 2.125728 -0.743179
H -1.967740 2.190882 1.607904
H -1.495863 3.815220 2.256744
H 3.261173 -0.052304 2.225621
H 2.239918 -0.782800 -1.937639
H 5.580271 -0.895538 1.814913
H 4.572494 -1.626102 -2.350907
H 6.243943 -1.677974 -0.479626


