%chk=000230689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230689

0 1
S -0.862331 -1.309548 0.726541
O -0.325476 2.085461 -1.669307
O 2.471193 -3.514283 1.271352
O -0.643011 2.081685 0.473421
O 0.404194 -2.915745 1.574527
N -0.119399 1.673049 -0.543550
N 1.545888 -2.731437 1.151667
C 0.664075 -0.616865 0.219025
C 3.288523 0.082423 -0.640942
C 0.922242 0.618635 -0.392313
C 1.773451 -1.459993 0.449937
C 2.204342 0.954866 -0.844272
C 3.069215 -1.125288 0.029541
C 4.647388 0.458435 -1.124718
C -2.137751 -0.393828 -0.067383
C -2.421080 -0.631741 -1.414800
C -2.946523 0.438554 0.709697
C -3.534325 -0.016896 -1.995787
C -4.063016 1.044792 0.122554
C -4.353677 0.818524 -1.226859
H 2.366243 1.910207 -1.356968
H 3.893747 -1.821265 0.229864
H 5.391027 -0.337192 -0.973464
H 4.646228 0.687553 -2.201774
H 5.027982 1.351002 -0.603715
H -1.787839 -1.287398 -2.012904
H -2.706324 0.632304 1.757017
H -3.762662 -0.186388 -3.046815
H -4.698962 1.700084 0.716025
H -5.219663 1.297694 -1.683396


%chk=000230689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230689

0 1
S -0.974648 -1.108717 1.266374
O -0.153726 2.620234 -0.926715
O 2.497687 -3.729634 0.800177
O -0.653996 2.006529 1.210048
O 0.812658 -2.958556 2.138653
N -0.052936 1.828640 0.087451
N 1.683136 -2.804829 1.193535
C 0.639339 -0.586184 0.573151
C 3.145525 0.047224 -0.784525
C 0.891483 0.680655 -0.033575
C 1.749322 -1.484495 0.533742
C 2.085888 0.982214 -0.714919
C 2.960672 -1.186057 -0.130444
C 4.434018 0.381739 -1.507855
C -2.166998 -0.293534 0.098803
C -2.136643 -0.595526 -1.281968
C -3.188777 0.513590 0.646047
C -3.135374 -0.063450 -2.128246
C -4.194505 1.024835 -0.205852
C -4.166668 0.742427 -1.591096
H 2.180164 1.971666 -1.173897
H 3.742732 -1.950904 -0.125279
H 5.121947 -0.479391 -1.526727
H 4.236931 0.683008 -2.552710
H 4.959361 1.223519 -1.019580
H -1.353619 -1.244079 -1.689663
H -3.186189 0.752658 1.713544
H -3.113529 -0.289628 -3.199683
H -4.986577 1.655049 0.212052
H -4.942977 1.148399 -2.248640


