%chk=000195199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195199

0 1
S -4.517104 -2.202462 0.375367
O 2.176778 1.215980 -0.007215
O 3.055673 0.679284 -2.031675
O -1.874430 1.092206 -1.972769
O -2.857437 3.688750 1.801687
N -0.231314 0.514447 -0.497935
N -3.313290 2.400337 -0.022487
C 0.725330 0.136340 -1.555837
C 0.819974 -1.394962 -1.723786
C 3.429276 1.820654 0.554702
C -2.397605 1.321307 0.393592
C 2.125528 0.699655 -1.258653
C -3.152188 0.055066 0.852998
C -1.497792 0.981810 -0.814676
C 1.246325 -2.106699 -0.469572
C 4.494726 0.736490 0.591520
C 2.931184 2.220257 1.939652
C 3.806347 3.011339 -0.311668
C -4.023512 -0.556370 -0.234333
C 2.610346 -2.287284 -0.192489
C 0.284331 -2.595343 0.426987
C 3.005315 -2.949170 0.972517
C 0.685721 -3.256734 1.590931
C 2.045073 -3.434059 1.866748
C -3.455538 3.557485 0.747203
C -5.367361 -2.901948 -1.056112
H 0.380941 0.587061 -2.537802
H -0.166572 -1.774407 -2.069446
H 1.523553 -1.620174 -2.556631
H -1.780814 1.703805 1.262033
H 0.104264 0.419720 0.461721
H -3.774078 0.319136 1.737696
H -2.405400 -0.680891 1.223927
H 5.386382 1.066638 1.134569
H 4.813019 0.454140 -0.424535
H 4.124879 -0.176135 1.076844
H 2.606854 1.346784 2.519095
H 2.068578 2.897125 1.875360
H 3.714224 2.730809 2.510633
H 4.656049 3.561128 0.106980
H 4.089975 2.694031 -1.328266
H 2.973442 3.716822 -0.418148
H -4.920219 0.059235 -0.429655
H -3.483421 -0.648642 -1.197553
H -3.743229 2.291845 -0.940563
H 3.362041 -1.911718 -0.887296
H -0.776694 -2.468423 0.214193
H 4.064291 -3.092062 1.182056
H -0.064510 -3.638444 2.282332
H -4.148633 4.302251 0.326472
H 2.354920 -3.951532 2.772254
H -6.250130 -2.316883 -1.334388
H -4.707522 -2.983903 -1.926342
H -5.700846 -3.913290 -0.784736


%chk=000195199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195199

0 1
S -3.845671 -2.142251 1.287163
O 2.250263 1.322987 0.099850
O 3.253509 0.726921 -1.938577
O -1.862173 1.179516 -2.302248
O -4.329725 3.379134 1.344638
N -0.189340 0.930131 -0.707322
N -3.575079 2.311690 -0.589803
C 0.829263 0.513383 -1.679920
C 0.753299 -1.013908 -2.045218
C 3.553388 1.721218 0.818080
C -2.424402 1.661736 0.048359
C 2.246395 0.870390 -1.208369
C -2.832992 0.443043 0.937023
C -1.466740 1.242256 -1.089876
C 1.029639 -1.950697 -0.879956
C 4.478395 0.491890 0.890620
C 3.037032 2.129952 2.206933
C 4.186422 2.908562 0.068415
C -3.598864 -0.639158 0.158971
C 2.343295 -2.430553 -0.633102
C -0.013030 -2.356586 -0.006800
C 2.608002 -3.282821 0.462997
C 0.247251 -3.206131 1.092058
C 1.561182 -3.670633 1.332274
C -4.426784 3.135869 0.105399
C -4.809327 -3.232667 0.092937
H 0.642529 1.066944 -2.620617
H -0.257340 -1.180289 -2.459573
H 1.482689 -1.177624 -2.858682
H -1.930163 2.397288 0.713897
H 0.118474 1.044321 0.261645
H -3.455353 0.829187 1.763623
H -1.916656 0.009069 1.383615
H 5.342142 0.729032 1.538454
H 4.852284 0.214401 -0.107138
H 3.944431 -0.370639 1.326188
H 2.546794 1.278260 2.709357
H 2.313477 2.959747 2.128252
H 3.882172 2.464481 2.834318
H 5.060222 3.270878 0.639995
H 4.524598 2.612741 -0.936900
H 3.467016 3.741367 -0.022503
H -4.592170 -0.273282 -0.151399
H -3.045425 -0.969806 -0.738247
H -3.647155 2.175233 -1.606740
H 3.157384 -2.139534 -1.308335
H -1.041678 -2.025476 -0.188709
H 3.626298 -3.651677 0.632214
H -0.579424 -3.505296 1.746032
H -5.220529 3.576464 -0.539507
H 1.764958 -4.335602 2.179223
H -5.752277 -2.740911 -0.194901
H -4.203702 -3.453228 -0.800776
H -5.031106 -4.168919 0.628183


