%chk=000186850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186850

0 1
S -2.336382 0.940489 -0.361814
O -2.918958 -1.942499 1.011476
O -2.537193 -2.109654 -1.189746
O -7.069497 -1.401147 0.157603
N -5.094503 -0.516558 0.865288
C 2.241943 0.110842 -0.104666
C 0.956887 -0.160712 -0.707751
C 2.708072 1.429407 0.013974
C 3.050188 -0.983697 0.385263
C 0.166689 0.886780 -1.161776
C 1.902656 2.516613 -0.481878
C 0.638424 2.246123 -1.066923
C 2.596882 -2.333708 0.266175
C 4.306365 -0.725414 0.990825
C 0.546087 -1.558305 -0.820864
C 3.991798 1.664753 0.633332
C -1.182930 0.625729 -1.746915
C 1.307650 -2.575274 -0.368141
C 4.755711 0.641815 1.101041
C 2.353464 3.872270 -0.397350
C -0.135924 3.348157 -1.555862
C 3.387049 -3.376553 0.746285
C 5.087142 -1.804326 1.469991
C 4.630116 -3.106983 1.347648
C 1.587672 4.906990 -0.872738
C 0.321872 4.638937 -1.462663
C -3.969025 0.564126 -1.064780
C -4.441543 -0.748298 -0.432046
C -3.207805 -1.649970 -0.292160
C -6.420364 -0.935603 1.077330
C -6.932499 -0.723644 2.469956
H -0.420419 -1.759643 -1.304960
H 4.335471 2.698590 0.717393
H -1.408975 1.283947 -2.606635
H -1.301214 -0.422891 -2.109074
H 0.986605 -3.612137 -0.470978
H 5.722379 0.827539 1.568048
H 3.326937 4.070376 0.055894
H -1.109619 3.152183 -2.006514
H 3.048726 -4.407455 0.657445
H 6.050271 -1.600830 1.934840
H 5.233470 -3.935832 1.716927
H 1.933239 5.937237 -0.806707
H -0.273428 5.471042 -1.835092
H -4.660430 1.398617 -0.826780
H -3.939745 0.489266 -2.166919
H -5.178706 -1.271036 -1.122316
H -4.489765 -0.216497 1.628523
H -7.994611 -1.017271 2.528164
H -6.391311 -1.331137 3.208987
H -6.871077 0.325903 2.788472
H -2.082642 -2.479656 1.106267


%chk=000186850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186850

0 1
S -2.608222 1.106667 -0.436813
O -3.699837 -2.977348 0.420623
O -2.749175 -2.259256 -1.566065
O -7.212377 -1.203539 0.428707
N -4.995512 -0.622355 0.797960
C 2.288845 0.180825 -0.033486
C 0.963561 -0.089285 -0.579965
C 2.794296 1.522319 0.017937
C 3.100862 -0.910339 0.451820
C 0.163045 0.978231 -1.068876
C 1.968843 2.617755 -0.458779
C 0.649208 2.338441 -0.989196
C 2.612798 -2.266566 0.407790
C 4.416488 -0.661304 0.987046
C 0.510413 -1.471276 -0.606343
C 4.114941 1.739139 0.556383
C -1.186040 0.717437 -1.689899
C 1.293672 -2.504370 -0.136242
C 4.896163 0.694505 1.022295
C 2.416156 3.979304 -0.421769
C -0.162828 3.444336 -1.422306
C 3.425122 -3.324055 0.888931
C 5.204967 -1.750132 1.461875
C 4.713282 -3.066751 1.413168
C 1.610901 5.029195 -0.867478
C 0.302173 4.758183 -1.366834
C -4.076291 0.294259 -1.334438
C -4.594656 -0.940274 -0.569893
C -3.580003 -2.088305 -0.642732
C -6.307620 -0.794233 1.219844
C -6.580950 -0.460318 2.679567
H -0.478734 -1.708172 -1.005525
H 4.519045 2.753500 0.603565
H -1.366687 1.367149 -2.560373
H -1.333926 -0.326616 -1.991392
H 0.924926 -3.536397 -0.175143
H 5.896264 0.890002 1.426443
H 3.410918 4.214629 -0.034343
H -1.181278 3.258391 -1.773676
H 3.043332 -4.350957 0.849081
H 6.203489 -1.547064 1.865986
H 5.328292 -3.895355 1.780260
H 1.979374 6.059949 -0.826446
H -0.338711 5.582433 -1.698060
H -4.875528 1.048164 -1.403304
H -3.739736 0.015517 -2.345679
H -5.528061 -1.304558 -1.058199
H -4.270566 -0.306914 1.446011
H -7.409743 0.265452 2.735331
H -6.912038 -1.375817 3.200008
H -5.704208 -0.048048 3.207379
H -3.053449 -3.725181 0.298343


