%chk=000179118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179118

0 1
S -1.558256 -3.164999 -0.201391
O 0.824354 0.824196 0.401980
O 1.034200 -1.980281 -0.353564
O 3.324417 3.292017 1.173044
O -2.655956 2.270847 -0.693575
O 0.935344 -1.234753 -2.527742
O -3.531592 0.480546 -1.765103
N -2.222251 -2.219572 1.017530
N -0.883445 -2.326550 -1.536609
C 1.126952 2.249604 0.794615
C 2.694859 2.314690 0.871081
C 3.154582 0.962566 0.510075
C 2.016731 0.169759 0.236803
C 0.491597 2.445549 2.151937
C 0.565012 3.097335 -0.319873
C -1.562431 -2.124332 2.352647
C 2.157251 -1.172919 -0.156918
C 4.434225 0.419245 0.398058
C -3.135823 -1.131937 0.632410
C 3.442525 -1.708951 -0.277717
C 4.566645 -0.918915 0.012191
C -1.534793 -3.526525 2.978324
C -0.160001 -1.522068 2.308686
C -2.414000 0.213870 0.397582
C 0.388449 -1.786825 -1.599618
C -2.947042 0.928541 -0.804965
C -1.777938 -2.098022 -2.697432
C -3.102408 3.161689 -1.768077
C -4.587081 3.424769 -1.635215
H -0.604592 2.408801 2.094445
H 0.805420 1.672216 2.866358
H 0.766874 3.422709 2.577014
H 1.013909 2.845836 -1.291714
H 0.735566 4.166478 -0.136378
H -0.522914 2.939440 -0.428218
H -2.215707 -1.465356 2.990720
H 5.309316 1.036796 0.607549
H -3.696366 -1.432408 -0.290199
H -3.905735 -1.005346 1.428591
H 3.556420 -2.746604 -0.599174
H 5.559464 -1.357973 -0.080313
H -1.193433 -3.482210 4.017709
H -2.527142 -3.992481 2.969847
H -0.855087 -4.201511 2.442129
H 0.256547 -1.404655 3.312933
H -0.143705 -0.539854 1.816869
H 0.535340 -2.163910 1.742920
H -2.477698 0.860390 1.296725
H -1.308771 0.064222 0.257042
H -2.554375 -1.343207 -2.458127
H -1.209765 -1.731751 -3.573414
H -2.277348 -3.038103 -2.984842
H -2.836124 2.700657 -2.736303
H -2.481546 4.054265 -1.570817
H -4.920315 4.202345 -2.333228
H -4.852872 3.749332 -0.621294
H -5.172387 2.517709 -1.851293


%chk=000179118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179118

0 1
S -1.328337 -2.617853 -0.590547
O 2.342413 0.963552 0.619971
O 1.473771 -1.734824 -0.254446
O 5.585413 2.208105 1.756737
O -5.519245 1.773952 -0.788421
O 1.672233 -0.361856 -2.172077
O -5.349344 -0.109761 -2.158371
N -2.360000 -1.742885 0.506482
N -0.354848 -1.417903 -1.655843
C 3.184895 2.146214 1.089421
C 4.603333 1.543282 1.328500
C 4.523004 0.122060 0.955229
C 3.191145 -0.134965 0.541049
C 2.566947 2.673433 2.390937
C 3.204878 3.173872 -0.052122
C -1.867099 -1.273421 1.841979
C 2.808603 -1.424099 0.108638
C 5.496545 -0.903872 0.971140
C -3.657139 -1.237858 0.011630
C 3.775882 -2.445444 0.129498
C 5.109441 -2.194573 0.560885
C -1.157038 -2.412323 2.601712
C -0.967661 -0.014565 1.768367
C -3.685497 0.270070 -0.377577
C 0.966627 -1.092095 -1.435651
C -4.918211 0.586810 -1.207891
C -0.983950 -0.868837 -2.878297
C -6.740356 2.210686 -1.541960
C -7.996502 1.563411 -0.953365
H 1.554948 3.070653 2.201993
H 2.499407 1.875595 3.150298
H 3.204935 3.481532 2.789854
H 3.547859 2.709474 -0.991997
H 3.895094 3.994677 0.211448
H 2.194266 3.585596 -0.214158
H -2.796641 -1.013630 2.391805
H 6.517456 -0.682773 1.297648
H -3.936158 -1.830546 -0.876232
H -4.420144 -1.424324 0.793860
H 3.474834 -3.445126 -0.200361
H 5.832547 -3.015917 0.561324
H -0.896014 -2.077674 3.622122
H -1.806661 -3.301907 2.676832
H -0.225049 -2.699379 2.083885
H -0.728134 0.332622 2.791035
H -1.457965 0.815910 1.232494
H -0.017285 -0.242302 1.258691
H -3.654697 0.930717 0.503002
H -2.796966 0.490497 -0.999232
H -1.070426 0.232138 -2.820602
H -0.376002 -1.110808 -3.768013
H -1.985732 -1.312321 -2.986940
H -6.609468 1.942708 -2.605013
H -6.739500 3.305404 -1.419579
H -8.893617 1.959854 -1.464061
H -8.087336 1.785510 0.123892
H -7.976356 0.469910 -1.094903


