%chk=000103140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103140

0 1
S 0.217862 3.594432 -0.106318
S 2.548398 -2.395803 1.524312
S 0.764700 -3.015123 -1.655836
O 2.923089 -3.987658 1.268326
O 1.122265 -2.165886 1.298163
O 3.006542 -2.149158 2.876340
O 0.635864 -1.540343 -1.898201
O 1.967964 -3.235962 -0.756805
O 0.787449 -3.834991 -2.859057
N 1.964401 1.772238 -0.733089
N -2.318522 -0.209626 0.229433
C 2.638717 0.455646 -0.887131
C -1.530007 -1.468857 0.444648
C -1.705141 0.914601 -0.305789
C 0.598256 1.896603 -0.514082
C 3.261359 0.003743 0.445515
C 2.695384 2.990115 -0.611309
C -3.705404 -0.216699 0.534323
C -1.750657 -2.464912 -0.706156
C -0.314624 0.888713 -0.560824
C 1.881991 4.098192 -0.276133
C -4.485631 0.939899 0.278543
C 3.586742 -1.485233 0.436327
C -2.528040 2.064958 -0.595668
C -0.660200 -3.526224 -0.707321
C -3.859428 2.085527 -0.318452
C 4.074665 3.161775 -0.801659
C -4.327024 -1.359533 1.120055
C 2.412663 5.372357 -0.122150
C -5.871361 0.934619 0.606207
C 4.602733 4.444687 -0.647801
C -5.669614 -1.332814 1.427343
C 3.787917 5.538340 -0.311308
C -6.453530 -0.178734 1.168208
H 3.396201 0.521511 -1.695313
H 1.872623 -0.311337 -1.259281
H -0.424486 -1.221764 0.536047
H -1.781955 -1.909288 1.433355
H 2.580770 0.266764 1.285105
H 4.185807 0.583998 0.646427
H -2.744602 -2.945717 -0.615176
H -1.767252 -1.924672 -1.680829
H 0.106276 -0.135112 -0.870616
H 4.652348 -1.650328 0.694148
H 3.503974 -1.912777 -0.601735
H -2.052467 2.911861 -1.101871
H -0.336549 -3.757933 0.333452
H -1.051265 -4.481934 -1.103918
H -4.474602 2.959197 -0.551388
H 4.714998 2.322180 -1.065570
H -3.736788 -2.254715 1.333666
H 1.778560 6.219480 0.138062
H -6.461187 1.830277 0.403186
H 5.673782 4.601288 -0.792131
H -6.146744 -2.206472 1.878318
H 4.233887 6.525810 -0.197510
H -7.514214 -0.188904 1.420853
H 2.614604 -4.347798 0.365167


%chk=000103140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103140

0 1
S 0.174548 3.752867 -0.243349
S 2.693817 -2.566104 1.755532
S 0.733962 -3.323978 -1.789498
O 2.908749 -4.171417 1.081974
O 1.099312 -2.173612 1.785421
O 3.528212 -2.457179 3.133703
O 1.077958 -1.711770 -1.579589
O 2.004339 -4.281206 -1.238665
O 0.223581 -3.729059 -3.274345
N 2.007192 1.905191 -0.745851
N -2.299047 -0.225160 0.244864
C 2.706390 0.598320 -0.868118
C -1.533866 -1.491179 0.477777
C -1.645829 0.919744 -0.245652
C 0.630872 1.999354 -0.545341
C 2.998795 -0.003722 0.533106
C 2.733363 3.117774 -0.659258
C -3.686739 -0.233556 0.531773
C -1.739633 -2.509189 -0.670360
C -0.235664 0.897577 -0.498012
C 1.913558 4.247605 -0.410633
C -4.471246 0.953426 0.312205
C 3.529935 -1.434786 0.403646
C -2.463152 2.084352 -0.498847
C -0.740313 -3.669954 -0.573150
C -3.816844 2.107168 -0.236755
C 4.131188 3.285635 -0.793368
C -4.338774 -1.388613 1.057807
C 2.438636 5.544788 -0.305569
C -5.864025 0.955261 0.615719
C 4.668023 4.586407 -0.689405
C -5.709122 -1.354968 1.358290
C 3.836263 5.708744 -0.451215
C -6.485748 -0.184394 1.137439
H 3.631398 0.766824 -1.443549
H 2.088870 -0.110977 -1.448957
H -0.465794 -1.268788 0.601865
H -1.845175 -1.914252 1.447691
H 2.040740 -0.027203 1.089918
H 3.699333 0.632581 1.102176
H -2.768020 -2.915424 -0.657504
H -1.624381 -1.994898 -1.644169
H 0.234998 -0.080662 -0.673127
H 4.602284 -1.568526 0.608553
H 3.214747 -1.921112 -0.533181
H -1.996333 2.944770 -0.980246
H -0.261722 -3.771427 0.414159
H -1.131608 -4.629538 -0.942709
H -4.409847 2.998436 -0.468384
H 4.791689 2.433278 -0.971891
H -3.790001 -2.312136 1.244186
H 1.790930 6.405285 -0.113568
H -6.437248 1.871372 0.434210
H 5.748690 4.725962 -0.793319
H -6.183465 -2.252066 1.769552
H 4.274167 6.708557 -0.373986
H -7.553983 -0.179724 1.373363
H 2.462538 -4.212197 0.061745


