%chk=000191947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191947

0 1
S -2.418819 -3.358845 -0.381077
O 6.887476 -0.531266 0.917205
O 5.215354 0.426677 2.063227
O 4.107034 -2.097056 -1.792231
O 3.785313 4.847866 0.223208
O 5.752736 4.396039 -0.743461
O -1.752234 1.635838 -0.650181
N 3.665169 -0.418373 -0.314460
N -2.705380 -0.439884 1.080890
N -5.469611 -0.382291 1.714199
N -5.690980 1.664723 0.509078
N -3.791012 2.677491 -0.610825
N -5.858948 3.825816 -0.517571
C 5.028102 0.128569 -0.396847
C 5.062400 1.583188 -0.895867
C 4.273690 2.563045 -0.025736
C 5.652623 0.050119 1.001808
C 3.296087 -1.543878 -1.073303
C 1.874994 -1.971179 -0.884671
C -2.396029 -2.553269 2.259617
C -2.577887 -3.784948 1.383337
C -3.276366 -1.421307 1.809732
C -0.741411 -2.823402 -0.535148
C 4.734913 3.970850 -0.250976
C 0.821349 -1.069870 -1.076123
C 1.620130 -3.306963 -0.538820
C -0.499259 -1.498036 -0.897406
C 0.302632 -3.736241 -0.361463
C -3.493390 0.567703 0.631331
C -4.877648 0.605321 0.958071
C -4.673538 -1.386792 2.121806
C -2.885043 1.639490 -0.245215
C -5.058883 2.705021 -0.237175
H 5.638745 -0.518052 -1.107179
H 4.675327 1.610824 -1.938128
H 6.124725 1.914541 -0.975097
H 3.179785 2.487478 -0.219491
H 4.380900 2.323850 1.063545
H 3.011508 0.052270 0.307889
H -1.326903 -2.226621 2.238968
H -2.602166 -2.801489 3.322760
H -1.853082 -4.573946 1.657971
H -3.589130 -4.225701 1.491548
H 1.012572 -0.034782 -1.365342
H 2.449665 -4.006506 -0.421574
H -1.316458 -0.777052 -1.023145
H 0.100481 -4.775771 -0.103672
H -5.146098 -2.183485 2.711054
H -6.661654 1.710582 0.824135
H 7.349521 -0.602223 1.797679
H 4.049199 5.800139 0.110204
H -6.835631 3.678284 -0.733417
H -5.417770 4.531803 -1.110063


%chk=000191947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191947

0 1
S -2.364422 -2.746669 -1.450753
O 6.439368 1.543626 2.400380
O 4.127893 1.750032 2.476155
O 4.446931 -1.997654 -0.614612
O 5.450752 3.956568 -2.619672
O 6.992918 2.229593 -2.793103
O -2.347677 1.895645 0.087875
N 3.785917 -0.053223 0.452566
N -3.232360 -0.665601 1.016421
N -5.975576 -0.894415 1.759430
N -6.260102 1.402865 1.282852
N -4.463070 2.815674 0.499255
N -6.585591 3.707570 0.864334
C 5.174078 0.303641 0.763674
C 5.941853 0.910828 -0.450459
C 5.298407 2.203206 -0.981236
C 5.153333 1.256245 1.952318
C 3.506175 -1.226184 -0.232429
C 2.057239 -1.540912 -0.490937
C -2.825060 -3.053115 1.407158
C -2.814175 -3.814557 0.055001
C -3.754947 -1.862831 1.420405
C -0.623299 -2.281202 -1.029768
C 6.020477 2.743416 -2.199365
C 1.003900 -0.602862 -0.329841
C 1.752322 -2.851397 -0.942311
C -0.336101 -0.967057 -0.590144
C 0.420728 -3.220463 -1.215125
C -4.060586 0.413295 0.960703
C -5.430374 0.281042 1.336700
C -5.127733 -1.959438 1.792446
C -3.536442 1.747025 0.484281
C -5.726577 2.632228 0.873769
H 5.721499 -0.615421 1.053141
H 5.961152 0.140676 -1.239634
H 6.986789 1.096207 -0.147207
H 4.241430 2.030548 -1.262394
H 5.280595 3.006606 -0.218992
H 3.052364 0.496740 0.908429
H -1.802027 -2.696547 1.620207
H -3.108638 -3.773819 2.199328
H -2.098587 -4.652568 0.104535
H -3.812634 -4.215090 -0.196099
H 1.197570 0.430770 -0.019767
H 2.580291 -3.552837 -1.087211
H -1.142711 -0.244140 -0.431928
H 0.189639 -4.224165 -1.587991
H -5.555125 -2.909485 2.130087
H -7.238418 1.273680 1.556382
H 6.393191 2.170765 3.172146
H 5.935349 4.281952 -3.426504
H -7.561680 3.655067 1.143526
H -6.191148 4.594439 0.557576


