%chk=000245185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245185

0 1
S -0.589133 -0.437963 -0.342370
O -0.682173 0.429590 0.816127
O -0.206529 -1.822902 -0.174092
O -3.809222 -2.547707 -0.361234
O -3.648443 -1.618419 1.701347
O -5.002681 1.983738 -0.540072
O 6.466166 -0.674448 0.758941
O 6.485854 1.482089 0.591827
N -3.286655 0.935149 0.525138
N 5.942733 0.393722 0.487996
C -2.121403 -0.407367 -1.228522
C -3.365970 -0.239403 -0.349335
C 0.539270 0.298649 -1.504888
C 1.931907 0.324533 -0.960362
C -3.603442 -1.500109 0.506275
C 2.607720 1.549312 -0.819405
C 2.574653 -0.876997 -0.612627
C -4.191948 1.999373 0.370994
C 3.916874 1.576021 -0.341918
C 3.882309 -0.859412 -0.134593
C 4.551282 0.369316 -0.008260
C -4.050132 3.095709 1.380449
C -3.999471 -3.862978 0.231528
H -2.249270 -1.352556 -1.813893
H -2.149029 0.391634 -1.998639
H -4.270875 -0.125318 -1.032953
H 0.548706 -0.256625 -2.469878
H 0.214149 1.323275 -1.786344
H -2.569039 0.921945 1.271144
H 2.111059 2.485673 -1.072708
H 2.040252 -1.833764 -0.691100
H 4.454521 2.524004 -0.224099
H 4.392220 -1.789433 0.144126
H -4.693948 3.948659 1.109374
H -4.360700 2.765400 2.384203
H -3.021386 3.472615 1.466420
H -3.019806 -4.243794 0.540452
H -4.424313 -4.441218 -0.595244
H -4.683407 -3.802490 1.085094


%chk=000245185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245185

0 1
S -0.625746 -0.267924 -0.449592
O -0.626822 0.921666 0.686780
O -0.326727 -1.816007 -0.019256
O -3.524629 -2.473655 -0.234283
O -3.671031 -1.323138 1.793758
O -5.653616 1.681735 -0.216591
O 6.573606 -1.046846 0.673124
O 6.391350 1.164829 1.204182
N -3.480661 1.156735 0.405252
N 5.938535 0.076768 0.677756
C -2.361793 -0.179846 -1.381074
C -3.503129 -0.079967 -0.361324
C 0.749364 0.256706 -1.846778
C 2.088763 0.213379 -1.210877
C -3.569267 -1.329613 0.553817
C 2.624924 1.376784 -0.591935
C 2.825447 -1.003502 -1.173179
C -4.615316 1.955484 0.463654
C 3.885829 1.339637 0.029012
C 4.086892 -1.056164 -0.554341
C 4.599961 0.121419 0.032259
C -4.525846 3.157317 1.389948
C -3.438930 -3.762418 0.500871
H -2.382099 -1.116898 -1.956105
H -2.286128 0.723530 -2.006672
H -4.457951 -0.054350 -0.936909
H 0.570844 -0.501933 -2.623206
H 0.399032 1.257642 -2.138273
H -2.636975 1.350074 0.960318
H 2.047466 2.306826 -0.592855
H 2.401829 -1.908076 -1.621048
H 4.321393 2.219695 0.508482
H 4.672872 -1.977597 -0.512513
H -4.928492 4.045070 0.875337
H -5.159848 2.973774 2.275729
H -3.497703 3.363192 1.731952
H -2.455530 -3.823239 0.995110
H -3.544732 -4.536023 -0.271848
H -4.244438 -3.827563 1.250218


