%chk=000294916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294916

0 1
S -2.909955 -1.392383 -1.084222
O -2.002213 0.714932 1.495837
O 2.077374 0.774784 -0.305139
O -6.012085 1.916288 -0.877561
O -6.651650 1.151811 1.130412
O 0.837460 1.727575 -1.989696
N -3.423451 1.434882 -0.146021
N 0.200356 1.882391 0.253260
C -4.463141 0.454205 0.217364
C -1.145397 2.427979 -0.016519
C -4.557218 -0.709188 -0.771588
C -2.191747 1.417972 0.517432
C -1.337224 3.754300 0.716320
C -5.813103 1.181302 0.267613
C -2.472303 -2.193205 0.495371
C -1.047757 -2.600165 0.308219
C 1.001286 1.477912 -0.812293
C -0.020014 -1.767821 0.781802
C -0.726413 -3.802734 -0.340722
C 3.082335 0.351652 -1.293517
C 4.380914 0.339394 -0.541958
C 1.314173 -2.134320 0.599845
C 0.612347 -4.165381 -0.513472
C 1.634212 -3.332897 -0.046071
C 5.515774 0.960418 -1.082015
C 4.460759 -0.309141 0.699250
C 6.726591 0.920547 -0.384287
C 5.670425 -0.338565 1.396024
C 6.805504 0.273319 0.853102
H -4.248541 0.066359 1.262702
H -1.257132 2.579863 -1.129184
H -4.945924 -0.380118 -1.760221
H -5.253221 -1.487814 -0.406312
H -3.538258 1.883538 -1.055532
H -2.320417 4.192836 0.506362
H -0.574643 4.484697 0.407869
H -1.249230 3.644494 1.806456
H 0.393548 1.551892 1.201247
H -2.586029 -1.474865 1.338724
H -3.137354 -3.051055 0.699488
H -0.272675 -0.834253 1.290432
H -1.516636 -4.450986 -0.715093
H 2.764849 -0.658440 -1.617994
H 3.065032 1.043460 -2.157385
H 2.112745 -1.471445 0.954125
H 0.858872 -5.098824 -1.016673
H -6.877403 2.410132 -0.873767
H 2.675053 -3.617456 -0.184215
H 5.458979 1.474392 -2.040186
H 3.562855 -0.780939 1.116315
H 7.609619 1.399110 -0.805110
H 5.729815 -0.838044 2.361722
H 7.749456 0.247403 1.394659


%chk=000294916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294916

0 1
S -3.646605 -1.604016 -1.270434
O -1.331277 -0.045269 1.053438
O 3.028555 0.316379 -0.275730
O -4.868424 2.962658 0.162606
O -5.932823 1.582325 1.706551
O 2.185818 1.993426 -1.718619
N -2.800028 1.317805 -0.131619
N 0.851548 0.945283 -0.103856
C -4.004778 0.711631 0.431487
C -0.378065 1.656071 -0.455817
C -4.742735 -0.256976 -0.556494
C -1.539006 0.892065 0.216616
C -0.338526 3.145014 -0.011813
C -5.019804 1.762042 0.877449
C -3.303068 -2.612387 0.331298
C -2.430436 -3.797002 -0.004865
C 2.023133 1.164792 -0.777767
C -1.017940 -3.681041 0.076710
C -2.997356 -5.033155 -0.409662
C 4.390033 0.512695 -0.877697
C 5.195801 1.548393 -0.122266
C -0.189731 -4.781881 -0.234952
C -2.169892 -6.135044 -0.720468
C -0.763244 -6.012131 -0.633800
C 5.101068 2.922376 -0.465967
C 6.057353 1.158831 0.934436
C 5.852442 3.887693 0.239989
C 6.809782 2.123500 1.641235
C 6.708688 3.491033 1.294463
H -3.697248 0.139567 1.323754
H -0.511257 1.623254 -1.556010
H -5.119051 0.299547 -1.433017
H -5.598716 -0.718872 -0.034293
H -2.919601 2.103829 -0.773541
H -1.250088 3.688802 -0.321007
H 0.530172 3.630671 -0.485730
H -0.238974 3.218762 1.084822
H 0.781724 0.223728 0.621579
H -2.788543 -1.925858 1.022919
H -4.286717 -2.913472 0.729328
H -0.579155 -2.725527 0.387555
H -4.087686 -5.129288 -0.481041
H 4.838877 -0.490271 -0.801420
H 4.253937 0.796656 -1.935541
H 0.899246 -4.681606 -0.165176
H -2.619136 -7.086155 -1.027885
H -5.571370 3.610687 0.437733
H -0.120841 -6.867024 -0.873595
H 4.426222 3.220563 -1.276161
H 6.135724 0.098402 1.204702
H 5.773970 4.946201 -0.032645
H 7.473547 1.811703 2.455503
H 7.293678 4.240392 1.839918


