%chk=000212759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212759

0 1
S 3.990257 -1.913976 1.509725
O 2.250977 0.338198 1.576700
O 3.656296 1.507415 -1.413973
N -1.756739 2.226345 0.432698
N 1.935032 2.481843 -0.315054
C 2.566572 0.057325 0.199442
C -0.547876 2.192872 -0.449604
C 0.675400 2.438640 0.464703
C -2.783916 1.219776 0.011065
C 2.760089 1.400835 -0.583471
C 1.378522 -0.694935 -0.377926
C -3.570752 0.777282 1.260980
C 3.795621 -0.787018 0.187665
C -2.338248 3.598959 0.496096
C 2.180400 3.741111 -1.064690
C -4.573793 -0.285109 0.909139
C 0.329442 -1.116775 0.448111
C 1.349913 -0.971355 -1.753210
C 4.839628 -0.884712 -0.679191
C 5.816770 -1.873525 -0.278185
C -5.912950 0.057203 0.665438
C -4.179070 -1.629096 0.819191
C -0.754591 -1.802593 -0.106897
C 0.265038 -1.660675 -2.298989
C 5.503175 -2.508488 0.883196
C -0.789641 -2.074640 -1.477403
C -6.843504 -0.934204 0.342491
C -5.112322 -2.616823 0.496945
C -6.446891 -2.272479 0.258519
H -0.580910 2.934610 -1.273434
H -0.445778 1.196053 -0.935839
H 0.726649 1.637049 1.244466
H 0.562222 3.395254 1.020226
H -3.481411 1.601848 -0.763560
H -2.275547 0.332474 -0.430976
H -4.064972 1.651013 1.730620
H -2.859025 0.410684 2.031501
H -1.576363 4.298552 0.874391
H -3.168141 3.601886 1.221808
H -2.718288 3.984893 -0.461482
H 1.373487 3.944101 -1.785844
H 3.131329 3.675848 -1.632282
H 2.259510 4.586215 -0.362802
H 0.363182 -0.904030 1.520031
H 2.176657 -0.652784 -2.391612
H 4.956911 -0.276871 -1.574807
H 3.024556 0.749399 2.030474
H 6.702895 -2.060330 -0.870154
H -6.229436 1.095930 0.728822
H -3.134995 -1.902998 0.997886
H -1.582944 -2.120912 0.535075
H 0.243152 -1.879163 -3.365428
H 6.054487 -3.275054 1.399121
H -1.634922 -2.611262 -1.905316
H -7.881326 -0.662666 0.156561
H -4.800378 -3.657911 0.432627
H -7.173141 -3.042630 0.009519


%chk=000212759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212759

0 1
S 4.387390 -1.941802 1.336927
O 2.672571 0.498133 1.649749
O 3.676297 1.624636 -1.599525
N -1.790388 2.125779 0.575772
N 1.883039 2.444544 -0.408491
C 2.809659 0.148708 0.213042
C -0.615494 2.136248 -0.327630
C 0.694671 2.351820 0.474501
C -2.886986 1.241616 0.111388
C 2.822466 1.459561 -0.667611
C 1.580005 -0.711477 -0.159149
C -3.862629 0.840737 1.252255
C 4.082487 -0.677798 0.051477
C -2.252297 3.485454 0.923243
C 1.993001 3.668546 -1.236277
C -4.887477 -0.175318 0.771322
C 0.741716 -1.262151 0.837475
C 1.319563 -0.988380 -1.524440
C 5.051208 -0.752639 -0.938744
C 6.047295 -1.772117 -0.708465
C -6.131715 0.241387 0.231474
C -4.601723 -1.565289 0.808630
C -0.353879 -2.075897 0.469746
C 0.223118 -1.799648 -1.888588
C 5.845846 -2.493267 0.455682
C -0.620571 -2.346045 -0.892149
C -7.066121 -0.701188 -0.255149
C -5.532374 -2.512395 0.325967
C -6.769491 -2.083036 -0.209337
H -0.712043 2.913686 -1.126330
H -0.546360 1.157726 -0.833304
H 0.820310 1.534379 1.192817
H 0.633490 3.290625 1.059098
H -3.476321 1.704204 -0.722141
H -2.430649 0.317341 -0.287075
H -4.380806 1.739067 1.636989
H -3.254231 0.429593 2.078835
H -1.405999 4.094842 1.284856
H -2.995529 3.444542 1.737510
H -2.716166 4.019245 0.054496
H 1.599760 3.509659 -2.257752
H 3.051780 3.957507 -1.332973
H 1.424121 4.477136 -0.747904
H 0.952230 -1.047593 1.888671
H 1.978324 -0.577015 -2.298649
H 5.043443 -0.074600 -1.791214
H 3.546774 0.848746 1.958816
H 6.886334 -1.952475 -1.385117
H -6.371453 1.311914 0.200165
H -3.645069 -1.903648 1.227362
H -0.994925 -2.502481 1.250095
H 0.029430 -2.008215 -2.946671
H 6.443131 -3.299343 0.878831
H -1.472468 -2.974696 -1.174972
H -8.024009 -0.360067 -0.664577
H -5.297724 -3.582247 0.371586
H -7.494262 -2.815951 -0.581437


