%chk=000195267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195267

0 1
S -2.776673 2.180434 -1.866945
O -0.400724 0.470511 2.855126
O 3.786081 0.824425 1.241754
O -2.298409 1.319292 1.981760
O 4.471452 1.758813 -0.688897
O -0.413419 -4.102254 -2.399901
O -1.372036 -2.172005 -2.518580
O -5.558349 -1.795500 -1.778486
N 0.244212 2.674936 -1.284012
N -0.544717 -2.944827 -2.043138
N -3.562321 -0.824433 -1.241608
C 1.166014 0.881885 0.747480
C -0.229066 1.470379 0.741201
C 2.102593 1.606117 -0.197083
C -0.653723 2.292167 -0.262858
C 1.136011 -0.594698 0.369843
C 1.625401 2.383622 -1.213343
C -2.011495 2.895778 -0.385405
C -1.102472 1.107468 1.861248
C 0.316241 -1.068445 -0.658936
C 1.964828 -1.494119 1.062966
C 2.429085 3.017247 -2.292068
C 3.539132 1.432788 0.020265
C 0.330161 -2.437176 -0.970545
C 1.974288 -2.853830 0.738784
C 1.156076 -3.339073 -0.282234
C -4.365008 1.530044 -1.281622
C -1.155134 -0.008444 4.018597
C -4.179099 0.260461 -0.455580
C 5.184932 0.622899 1.580376
C -1.850685 -1.306928 3.672235
C -4.344228 -1.771573 -1.907247
H 1.573931 0.979922 1.797858
H -0.111638 3.192512 -2.090910
H -1.980720 4.000932 -0.476652
H -2.636099 2.698827 0.526885
H -0.328742 -0.385686 -1.220751
H 2.618934 -1.115768 1.856254
H 2.170904 2.625359 -3.288129
H 3.519683 2.816395 -2.170127
H 2.327651 4.111565 -2.318828
H 2.623935 -3.539294 1.283869
H 1.152429 -4.400130 -0.549486
H -4.921913 2.297744 -0.713436
H -4.962367 1.323366 -2.198634
H -1.858115 0.782946 4.334551
H -0.337485 -0.129381 4.752317
H -3.557879 0.454811 0.454480
H -5.180599 -0.086426 -0.087915
H 5.133728 0.300795 2.624936
H 5.738739 1.561530 1.468094
H 5.602993 -0.149068 0.927176
H -2.285893 -1.779708 4.560823
H -1.160186 -2.026724 3.213690
H -2.668859 -1.142852 2.954288
H -2.570982 -0.726782 -1.463683
H -3.765497 -2.495146 -2.508318


%chk=000195267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195267

0 1
S -2.730040 2.002444 -2.098910
O -0.390262 0.453621 2.884745
O 3.954342 0.905983 1.377332
O -2.284278 1.461768 1.980308
O 4.610662 2.105768 -0.509439
O -0.501748 -4.102006 -2.530263
O -1.486140 -2.051855 -2.538519
O -6.119160 -1.935003 -1.415205
N 0.389628 2.547660 -1.319119
N -0.598364 -2.891890 -2.099333
N -3.982502 -0.964719 -1.349260
C 1.258141 0.845991 0.779188
C -0.141953 1.472944 0.759564
C 2.237250 1.636229 -0.106985
C -0.548357 2.235124 -0.324223
C 1.210748 -0.637712 0.346808
C 1.769836 2.367049 -1.187718
C -1.911972 2.826869 -0.567074
C -1.055674 1.166946 1.877658
C 0.336808 -1.075480 -0.674453
C 2.058859 -1.591430 0.969846
C 2.607748 3.060115 -2.237984
C 3.678369 1.595333 0.173167
C 0.338737 -2.436456 -1.049203
C 2.051842 -2.948524 0.573948
C 1.190591 -3.390090 -0.449404
C -4.413264 1.501231 -1.363659
C -1.214362 0.036324 4.060186
C -4.367883 0.199592 -0.544001
C 5.383709 0.869628 1.758247
C -1.898273 -1.307040 3.791340
C -4.892038 -1.930851 -1.728803
H 1.639123 0.862461 1.811600
H 0.052390 3.046616 -2.144710
H -1.846173 3.906772 -0.784068
H -2.563353 2.647136 0.297341
H -0.345979 -0.383988 -1.177325
H 2.729456 -1.252726 1.765160
H 1.971313 3.480905 -3.038168
H 3.339294 2.366897 -2.681859
H 3.204921 3.874388 -1.792431
H 2.714463 -3.665120 1.070015
H 1.156127 -4.432362 -0.776304
H -4.771151 2.348218 -0.753745
H -5.067812 1.389843 -2.244488
H -1.953018 0.829018 4.270599
H -0.479155 -0.029081 4.878365
H -3.685889 0.319783 0.317864
H -5.382876 -0.005462 -0.153979
H 5.408078 0.319946 2.710393
H 5.774676 1.893484 1.882691
H 5.975683 0.352907 0.984168
H -2.423549 -1.645673 4.703681
H -1.158808 -2.077507 3.512378
H -2.642418 -1.215987 2.982465
H -3.019142 -1.048383 -1.694907
H -4.422299 -2.723948 -2.352016


