%chk=000186045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186045

0 1
S -0.795255 1.052786 -0.617081
S -3.723102 1.007623 -2.400993
P -2.887192 1.104166 -0.693616
O 4.315287 0.229445 1.397846
O -3.343213 0.012099 0.457696
O -3.046876 2.477762 0.195994
O 4.769051 -1.912575 1.862539
O 0.112314 -1.831405 1.023647
N 1.805037 -0.337918 0.692657
C 2.806942 -1.395301 0.461709
C 3.213700 -1.534315 -1.017274
C 3.765623 -0.247134 -1.641929
C 4.388253 -0.515485 -3.008846
C 4.047039 -1.119147 1.314469
C 0.468326 -0.669290 0.928045
C -0.465628 0.505545 1.086290
C -3.869071 -1.288228 0.052321
C -4.397654 3.028982 0.347528
C -2.772752 -2.206160 -0.437961
C -4.152238 4.302727 1.133385
H 2.372610 -2.385828 0.812447
H 2.328679 -1.877236 -1.594827
H 3.958819 -2.352517 -1.107720
H 2.953602 0.500283 -1.745677
H 4.517780 0.215370 -0.969525
H 2.116395 0.619965 0.535633
H 3.663944 -0.952339 -3.706810
H 5.237793 -1.205198 -2.942667
H 4.756986 0.412125 -3.463016
H -1.383589 0.173813 1.635307
H -0.050203 1.344207 1.678064
H -4.687819 -1.159030 -0.680381
H -4.290686 -1.624174 1.024246
H -5.018014 2.304596 0.907320
H -4.831018 3.234205 -0.650597
H 5.116008 0.426266 1.955773
H -3.094752 -3.255390 -0.406986
H -2.461542 -2.004283 -1.470630
H -1.866004 -2.145117 0.194545
H -5.083541 4.854114 1.304957
H -3.694710 4.088056 2.108749
H -3.455331 4.966134 0.600766


%chk=000186045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186045

0 1
S -0.568448 1.318860 -0.820634
S -3.751086 1.589417 -2.700747
P -2.851817 1.367545 -0.856537
O 4.364325 0.862609 1.526598
O -3.361269 0.004325 0.104276
O -3.081058 2.583229 0.360236
O 5.435085 -1.200167 1.554773
O 0.312772 -1.682743 0.954818
N 2.003688 -0.088788 0.926140
C 3.072500 -1.096411 0.866741
C 3.251274 -1.716261 -0.558175
C 3.628651 -0.698586 -1.654889
C 3.752731 -1.371385 -3.038966
C 4.401133 -0.533763 1.354865
C 0.676194 -0.464968 0.957066
C -0.321402 0.691364 0.973200
C -3.752587 -1.273466 -0.571723
C -4.491079 2.955730 0.706371
C -2.547517 -2.053480 -1.100435
C -4.388041 4.130114 1.673691
H 2.796291 -1.928873 1.543376
H 2.296115 -2.212228 -0.810320
H 4.025541 -2.503567 -0.483469
H 2.860508 0.098202 -1.700561
H 4.588791 -0.205131 -1.400575
H 2.277737 0.895343 0.971180
H 2.798508 -1.845418 -3.335152
H 4.531820 -2.156602 -3.031138
H 4.020361 -0.635893 -3.818972
H -1.294922 0.318840 1.323997
H 0.005521 1.552266 1.577101
H -4.476418 -1.035008 -1.375086
H -4.267120 -1.815802 0.238890
H -4.983062 2.078574 1.165773
H -5.023035 3.231423 -0.224586
H 5.256652 1.188872 1.821081
H -2.883384 -3.054481 -1.431689
H -2.087033 -1.547667 -1.967523
H -1.778717 -2.182291 -0.318976
H -5.401466 4.455598 1.973610
H -3.831825 3.841506 2.581692
H -3.870915 4.981360 1.200079


