%chk=000106346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106346

0 1
S 2.200824 1.030845 2.145671
S 1.232101 -2.697030 -1.670205
S -6.044893 -1.082755 0.881016
O -1.923027 0.902608 3.117109
O 2.242336 1.976815 3.234744
O 3.031595 -0.146455 2.123985
O 2.325416 -1.411304 -1.846560
O -6.205591 -2.565704 1.663665
O 2.021612 -3.746079 -1.094646
O 0.590931 -2.880332 -2.939152
O -6.741102 -0.154039 1.732392
O -6.451283 -1.291501 -0.476651
O 2.614378 3.926059 -2.911745
O 4.330316 0.082437 -2.628484
O 3.870490 1.847674 -3.923817
N 0.531898 0.515870 2.205620
C -1.508705 -0.534064 1.254042
C -0.068171 -0.401010 1.335176
C -2.059414 -1.359257 0.234354
C 0.156479 -1.933143 -0.542664
C 0.733439 -1.169935 0.486045
C -1.204671 -2.029316 -0.691757
C -2.455723 0.102309 2.134779
C -3.484455 -1.521674 0.119161
C -4.325673 -0.892366 0.994019
C -3.821038 -0.061306 2.024577
C 2.335769 1.832432 0.639312
C 2.956737 1.215433 -0.444183
C 1.838900 3.152643 0.513430
C 3.096036 1.891546 -1.669068
C 1.938217 3.837231 -0.679544
C 2.562023 3.207304 -1.787017
C 3.760139 1.310984 -2.826579
H 1.823520 -1.206650 0.626867
H -1.654292 -2.601370 -1.510121
H -0.056128 0.891918 2.975813
H -3.868539 -2.158903 -0.687036
H -4.511675 0.438820 2.709191
H 3.351934 0.187116 -0.366162
H 1.373741 3.638488 1.382101
H -2.614684 1.281918 3.719883
H 1.555589 4.851915 -0.800775
H 3.237052 -1.638098 -2.095342
H -7.060458 -2.745972 2.081844
H 3.073193 3.429051 -3.707437
H 4.802058 -0.234053 -3.457950


%chk=000106346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106346

0 1
S 2.165269 1.061814 2.241904
S 1.277449 -2.817401 -1.700970
S -6.213298 -1.213898 0.914521
O -1.974939 0.926138 3.127464
O 2.121336 2.166727 3.427931
O 3.158617 -0.219546 2.265757
O 1.585520 -1.369860 -2.800697
O -6.299380 -2.640319 2.097573
O 2.683122 -3.135380 -0.955525
O 0.477701 -3.921787 -2.555330
O -6.950645 0.060777 1.585214
O -6.617997 -1.730749 -0.561904
O 3.101690 4.115388 -2.885509
O 4.104540 -0.020603 -2.748859
O 4.222368 1.992721 -3.886713
N 0.419106 0.526371 2.202304
C -1.578406 -0.584449 1.259524
C -0.132073 -0.409380 1.331259
C -2.128454 -1.480851 0.254840
C 0.094384 -1.983369 -0.499394
C 0.694072 -1.169863 0.478110
C -1.266732 -2.166090 -0.660810
C -2.507713 0.077530 2.139702
C -3.545499 -1.678921 0.162329
C -4.359525 -0.993167 1.044906
C -3.889457 -0.112282 2.044474
C 2.414682 1.942679 0.594148
C 3.038325 1.268200 -0.454878
C 2.009639 3.296358 0.521422
C 3.261285 1.976117 -1.667047
C 2.243292 4.003768 -0.663784
C 2.875818 3.362851 -1.764823
C 3.890838 1.358412 -2.837035
H 1.779959 -1.177103 0.609463
H -1.671895 -2.813047 -1.444259
H -0.162359 0.974226 2.927489
H -3.964122 -2.345784 -0.597545
H -4.599625 0.406314 2.698570
H 3.395122 0.239466 -0.345282
H 1.553964 3.782749 1.390096
H -2.672655 1.304916 3.715499
H 1.965011 5.055286 -0.767875
H 2.551970 -1.100720 -2.678070
H -7.250506 -2.952816 2.133673
H 3.596690 3.554886 -3.577020
H 4.630715 -0.327211 -3.536937


