%chk=000186717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186717

0 1
S -0.795430 2.627580 -0.504564
O -0.717108 -2.384269 0.277834
O 5.221008 0.225270 0.287725
N -2.505976 0.579131 -0.080778
N -2.485971 -0.853356 -0.127565
N -0.340739 -0.049161 -0.047208
C -3.738659 1.211095 -0.629781
C -3.623639 -1.491728 0.602237
C -4.954077 0.604762 0.091052
C -4.935020 -0.928491 0.030176
C -1.197355 1.060136 -0.248623
C -1.116343 -1.261848 0.115325
C 1.099844 0.002710 0.021967
C 1.842988 -0.959255 -0.678436
C 1.735100 0.999174 0.792512
C 3.238187 -0.933576 -0.620552
C 3.120988 1.035200 0.846981
C 3.863082 0.065697 0.136537
C 6.093377 -0.703636 -0.400735
H -3.807131 1.057923 -1.730676
H -3.664626 2.310151 -0.445196
H -3.563431 -1.318711 1.699356
H -3.540887 -2.589876 0.426496
H -5.882822 0.995565 -0.368320
H -4.970167 0.941367 1.148003
H -5.791380 -1.346548 0.593578
H -5.061665 -1.266087 -1.019256
H 1.337167 -1.735769 -1.256367
H 1.147176 1.741617 1.337960
H 3.810913 -1.681918 -1.158934
H 3.647082 1.795116 1.422727
H 5.952976 -0.626654 -1.482686
H 5.928056 -1.721634 -0.036691
H 7.085680 -0.336878 -0.106198


%chk=000186717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186717

0 1
S -0.857638 2.759715 -0.557834
O -0.690646 -2.347593 0.398006
O 5.281638 0.215908 0.250867
N -2.517150 0.622868 -0.056405
N -2.454522 -0.801588 0.026498
N -0.370820 0.029296 0.004724
C -3.757511 1.232330 -0.565148
C -3.611756 -1.533832 0.569013
C -4.977728 0.550464 0.089241
C -4.905410 -0.988485 -0.070123
C -1.233735 1.139871 -0.183687
C -1.116235 -1.189022 0.166777
C 1.066908 0.068559 0.042902
C 1.808612 -0.930004 -0.624529
C 1.738750 1.085841 0.766338
C 3.218860 -0.922238 -0.575729
C 3.141886 1.104788 0.807522
C 3.888557 0.101904 0.138444
C 6.100694 -0.793807 -0.424217
H -3.794229 1.124949 -1.669285
H -3.697136 2.307686 -0.332251
H -3.648820 -1.416940 1.672548
H -3.445905 -2.599508 0.342086
H -5.895796 0.945611 -0.380842
H -5.015145 0.813630 1.164022
H -5.774005 -1.469772 0.413605
H -4.928896 -1.256687 -1.143825
H 1.289009 -1.724879 -1.165858
H 1.164247 1.862090 1.277362
H 3.772726 -1.709891 -1.093945
H 3.680385 1.884086 1.354285
H 5.933320 -0.781531 -1.518876
H 5.897494 -1.808060 -0.028535
H 7.141192 -0.512660 -0.205252


