%chk=000102867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000102867

0 1
S 0.187056 -0.977860 0.666187
P -1.434856 0.194289 0.003959
O 0.394503 1.505456 0.625961
O -1.062728 1.070924 -1.328860
O -2.160363 -1.171750 -0.588808
O 2.394636 -0.479122 -0.873459
O -2.203641 1.017980 0.959875
O 1.184752 2.925155 2.184391
O 2.665363 -2.276114 0.477696
C 1.260745 0.450288 1.089551
C 2.539993 0.403242 0.261582
C -0.259474 0.511678 -2.398736
C -3.600902 -1.292051 -0.440233
C 0.378393 2.746992 1.311631
C -0.713357 3.579870 0.730951
C 2.409230 -1.854063 -0.620653
C 2.101133 -2.561301 -1.909542
C -1.042890 -0.489274 -3.226274
C -3.997011 -1.536609 1.003039
C -0.516238 5.054220 1.040983
C 2.947298 -3.818729 -2.050991
H 1.439628 0.540015 2.184273
H 2.751782 1.378032 -0.223182
H 3.406633 0.072669 0.868186
H -0.031066 1.433511 -2.974696
H 0.687010 0.097508 -1.993357
H -4.098848 -0.405223 -0.873917
H -3.797705 -2.177043 -1.080418
H -1.692180 3.200460 1.141409
H -0.803213 3.398778 -0.367106
H 1.015151 -2.814661 -1.913350
H 2.253397 -1.880426 -2.774987
H -1.256304 -1.418628 -2.675320
H -2.016134 -0.079287 -3.529230
H -0.500017 -0.760793 -4.138305
H -3.355307 -2.293126 1.475358
H -3.920394 -0.623565 1.618356
H -5.032096 -1.888403 1.078233
H 0.379604 5.460269 0.554943
H -1.376276 5.642854 0.697231
H -0.406943 5.230110 2.121006
H 4.013605 -3.583697 -2.160979
H 2.849445 -4.469760 -1.168826
H 2.644289 -4.402813 -2.928173


%chk=000102867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102867

0 1
S -0.556271 -1.004700 0.764249
P -2.100328 0.354463 -0.313139
O 0.536933 1.524640 0.464726
O -1.532523 0.711462 -1.892106
O -3.290793 -0.870330 -0.604470
O 2.326073 -0.587682 -0.522245
O -2.629994 1.650528 0.440122
O 0.411259 2.710554 2.486462
O 3.411637 -2.580314 0.048079
C 0.792052 0.291702 1.210681
C 2.181792 -0.255172 0.912618
C -0.531413 -0.133091 -2.606777
C -4.571786 -0.827443 0.173726
C 0.270173 2.702853 1.250403
C -0.188386 3.822402 0.349699
C 2.953923 -1.815071 -0.825771
C 2.958026 -2.041231 -2.328086
C -1.158179 -1.406441 -3.179037
C -4.403187 -1.374782 1.592504
C -0.061540 5.209124 1.006777
C 4.012015 -3.073933 -2.769497
H 0.699715 0.499124 2.291759
H 2.928894 0.523637 1.151185
H 2.387559 -1.158007 1.516872
H -0.183454 0.546069 -3.403069
H 0.308896 -0.345243 -1.920712
H -4.952740 0.210045 0.180974
H -5.237203 -1.461096 -0.435277
H -1.246687 3.588274 0.112312
H 0.360774 3.758096 -0.606406
H 1.941792 -2.389859 -2.604053
H 3.096844 -1.067405 -2.830425
H -1.504316 -2.081612 -2.377339
H -2.020662 -1.164110 -3.822735
H -0.408925 -1.943971 -3.791766
H -3.949475 -2.380488 1.575174
H -3.772516 -0.710302 2.208137
H -5.394568 -1.450269 2.077769
H 0.993063 5.468157 1.207531
H -0.487010 5.981384 0.342685
H -0.603438 5.237759 1.966980
H 5.034635 -2.711941 -2.565490
H 3.880216 -4.024118 -2.225468
H 3.924830 -3.271658 -3.852156


