%chk=000188286.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188286

0 1
S 1.583907 0.950321 -0.709240
O 6.068705 1.034761 1.718477
O -6.456010 0.114416 -0.010999
N 3.749073 -0.096570 0.550092
N 2.224177 -1.609532 -0.633973
N -0.925469 0.797057 -0.090579
N -0.240478 -0.575598 -2.016515
C 5.066275 -0.175698 -0.158773
C 3.646089 1.154866 1.363964
C 6.176123 -0.149665 0.905510
C 4.794066 1.133037 2.388320
C 2.619747 -0.451882 -0.251373
C 2.911233 -2.877492 -0.323269
C -0.076894 0.274825 -0.910666
C 3.928782 -3.237049 -1.406334
C -2.331383 0.565809 -0.097362
C -5.090994 0.262392 0.065287
C -2.947560 0.387442 1.154966
C -3.114112 0.609292 -1.272928
C -4.331775 0.227253 1.242536
C -4.491745 0.458096 -1.197433
C -7.202625 -0.054956 1.236530
C -8.639937 -0.158095 0.765090
H 5.116468 -1.124017 -0.749030
H 5.202983 0.666941 -0.872383
H 3.716371 2.077778 0.745867
H 2.665469 1.175310 1.891188
H 6.140195 -1.040279 1.557555
H 7.179435 -0.040489 0.456516
H 4.884438 2.092070 2.929015
H 4.695611 0.296531 3.101997
H 2.106610 -3.650166 -0.280816
H 3.400209 -2.863236 0.677650
H 4.355131 -4.230931 -1.231384
H 3.469029 -3.243729 -2.403156
H 4.759362 -2.512899 -1.433204
H -2.336501 0.377123 2.058821
H -2.637793 0.784655 -2.238470
H -4.793350 0.085169 2.213574
H -5.119095 0.492483 -2.085590
H -1.050595 -1.188879 -1.987920
H 0.588795 -1.075564 -2.336355
H -7.023428 0.827983 1.873634
H -6.847581 -0.974190 1.732661
H -8.772731 -1.003130 0.074881
H -8.943124 0.743676 0.214235
H -9.328807 -0.292046 1.606184


%chk=000188286-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188286

0 1
S 1.445238 1.021017 0.161178
O 6.608278 0.722148 1.620725
O -6.758589 -0.137777 -0.255276
N 4.022788 0.150452 0.468427
N 2.497571 -1.424936 -0.594311
N -1.209263 0.866200 0.405443
N -0.157694 -1.091360 -0.616407
C 5.266551 0.017034 -0.337891
C 4.158121 1.182124 1.528816
C 6.454059 -0.311154 0.585218
C 5.371304 0.834068 2.413443
C 2.784732 -0.283586 -0.022242
C 3.384394 -2.608208 -0.588728
C -0.222517 0.148776 -0.036984
C 3.792926 -3.020975 -2.020412
C -2.584831 0.568133 0.228884
C -5.394327 0.126093 -0.026648
C -3.479834 0.915953 1.274525
C -3.135557 0.008722 -0.966656
C -4.868285 0.692134 1.162219
C -4.520495 -0.201828 -1.092604
C -7.707932 0.210034 0.816986
C -9.099260 -0.171547 0.317539
H 5.142254 -0.756392 -1.110173
H 5.466023 0.983207 -0.849710
H 4.303356 2.186483 1.077968
H 3.241367 1.206316 2.140571
H 6.301174 -1.305003 1.060599
H 7.403200 -0.310482 0.024424
H 5.563004 1.636910 3.143917
H 5.181541 -0.120668 2.949846
H 2.799652 -3.438383 -0.144464
H 4.279757 -2.470739 0.052716
H 4.368738 -3.964347 -2.000976
H 2.894653 -3.173476 -2.643493
H 4.409640 -2.246956 -2.512375
H -3.061785 1.370070 2.178442
H -2.479950 -0.214284 -1.816606
H -5.521461 0.969261 1.995088
H -4.948549 -0.613976 -2.012136
H -1.009652 -1.650016 -0.677860
H 0.809367 -1.482998 -0.805255
H -7.642312 1.296994 1.032625
H -7.446159 -0.347237 1.740889
H -9.150365 -1.251630 0.097598
H -9.346169 0.381645 -0.604691
H -9.858404 0.067377 1.084609


