%chk=000186362.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186362

0 1
S 4.158032 -2.954800 0.947015
O 3.754044 0.806774 -2.376616
N 3.779679 -0.468137 0.163860
C -1.297251 -0.132088 0.324607
C -0.142137 -0.238852 1.150693
C -2.282113 0.895216 0.582216
C 0.812167 -1.240315 0.870480
C 2.057352 -1.394313 1.703431
C -1.490279 -1.032433 -0.759025
C 4.954551 -0.580505 -0.749304
C 3.055890 0.818742 -0.036769
C -2.105488 1.798180 1.666604
C -3.432484 1.005896 -0.247882
C 3.313225 -1.514145 0.883434
C -0.002980 0.695514 2.255810
C 0.598483 -2.131309 -0.192247
C 4.477381 -0.430134 -2.202647
C 2.611333 0.919337 -1.507381
C -0.532956 -2.031423 -0.998215
C -0.925302 1.655897 2.501519
C -2.675758 -0.895925 -1.587284
C -3.595097 0.069262 -1.346776
C -3.068119 2.792089 1.903836
C -4.377857 2.010890 0.014381
C -4.192236 2.892879 1.080977
H 1.938287 -2.316464 2.334510
H 2.163494 -0.576448 2.453885
H 5.495750 -1.549512 -0.613514
H 5.677735 0.224337 -0.485513
H 3.754685 1.653222 0.208162
H 2.185602 0.922404 0.643457
H 0.875224 0.586119 2.897321
H 1.328368 -2.923689 -0.384522
H 5.321191 -0.310194 -2.906428
H 3.837287 -1.273209 -2.517938
H 1.868859 0.143263 -1.768383
H 2.217865 1.921530 -1.756984
H -0.676797 -2.736993 -1.816721
H -0.813462 2.347991 3.336469
H -2.797752 -1.601588 -2.409459
H -4.484880 0.171717 -1.967959
H -2.939459 3.485895 2.733014
H -5.260823 2.101969 -0.616557
H -4.933755 3.668152 1.274442


%chk=000186362-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186362

0 1
S 3.976487 -3.112077 1.135203
O 4.329390 0.687833 -2.523626
N 3.884679 -0.612536 0.028266
C -1.423149 -0.014831 0.356921
C -0.234948 -0.075909 1.183137
C -2.485857 0.902955 0.673281
C 0.816803 -0.986142 0.836025
C 2.094945 -1.097088 1.678050
C -1.552957 -0.878799 -0.791331
C 5.101583 -0.901231 -0.771761
C 3.354427 0.751687 -0.232965
C -2.381514 1.767832 1.822627
C -3.666338 0.964815 -0.156911
C 3.338354 -1.528412 0.895960
C -0.172525 0.798016 2.339901
C 0.654975 -1.832073 -0.288864
C 4.811461 -0.682108 -2.268002
C 3.107515 0.938497 -1.747485
C -0.502614 -1.786150 -1.087272
C -1.195802 1.678244 2.643636
C -2.747127 -0.801308 -1.604820
C -3.763048 0.086000 -1.302475
C -3.438673 2.670575 2.118570
C -4.700017 1.882824 0.173279
C -4.585196 2.726531 1.298590
H 1.949819 -1.857028 2.465330
H 2.306451 -0.142280 2.196343
H 5.404990 -1.942799 -0.566875
H 5.907511 -0.215865 -0.443471
H 4.105530 1.491504 0.109294
H 2.413614 0.919277 0.309585
H 0.697337 0.750172 3.002441
H 1.450692 -2.546985 -0.526655
H 5.733122 -0.786926 -2.862613
H 4.057435 -1.418646 -2.618927
H 2.295171 0.257054 -2.078461
H 2.824647 1.981251 -1.965185
H -0.600949 -2.457140 -1.948644
H -1.122795 2.324214 3.526662
H -2.828928 -1.466190 -2.472593
H -4.663057 0.137772 -1.926249
H -3.354912 3.324272 2.994551
H -5.594689 1.928846 -0.458568
H -5.392340 3.427149 1.538098


