%chk=000257645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257645

0 1
S -1.071384 1.278492 -0.706934
S 1.552459 -1.533607 -2.059015
S -1.065770 0.589092 -2.704963
S 0.887517 0.130540 -3.181379
O -1.467998 2.649382 -0.723823
O 0.223937 0.863346 -0.228641
O 0.440300 -1.953106 -1.247351
O 2.128939 -2.389474 -3.050704
O -6.743665 -0.040289 1.581474
O 4.202443 1.259227 2.875173
O -6.032050 1.884353 0.888726
O 2.273729 0.276619 2.841297
N -5.892725 0.695140 1.111987
N 3.330599 0.602688 2.331585
C -2.330200 0.308622 -0.053634
C 2.807067 -0.850144 -1.103729
C -3.562801 0.893343 0.253905
C 2.544309 -0.411850 0.196732
C -2.120650 -1.060309 0.169721
C 4.096531 -0.727513 -1.644453
C -4.581641 0.091403 0.784554
C 3.590127 0.150707 0.946869
C -3.146735 -1.850796 0.702635
C 5.125872 -0.153035 -0.893733
C -4.380725 -1.284266 1.012382
C 4.878056 0.297187 0.404589
H -3.744491 1.970231 0.089281
H 1.534563 -0.493785 0.644631
H -1.148290 -1.530575 -0.074691
H 4.304780 -1.089866 -2.660617
H -2.974655 -2.916942 0.871113
H 6.124827 -0.053419 -1.322785
H -5.197182 -1.888733 1.429495
H 5.672107 0.759237 1.005804


%chk=000257645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257645

0 1
S -1.495529 1.570029 -1.186654
S 1.737701 -1.356073 -2.415816
S -1.176043 0.461114 -3.624564
S 0.894470 0.824549 -3.716116
O -2.253559 3.015391 -1.139105
O 0.063479 1.444134 -0.687823
O 0.367303 -1.812568 -1.638796
O 2.523032 -2.411669 -3.385512
O -6.528190 -0.415247 2.328798
O 4.072552 1.336228 3.003807
O -6.163430 1.655719 1.440416
O 1.879046 1.092956 2.420139
N -5.829980 0.429620 1.650049
N 3.138708 0.937114 2.208915
C -2.569185 0.351485 -0.201746
C 3.006152 -0.793905 -1.115168
C -3.766567 0.858623 0.319036
C 2.557517 -0.110123 0.021719
C -2.125044 -0.972889 -0.046434
C 4.349038 -1.126693 -1.367627
C -4.545554 -0.051014 1.064212
C 3.553704 0.233478 0.959712
C -2.944273 -1.846663 0.707968
C 5.311775 -0.749992 -0.402329
C -4.156486 -1.392309 1.269329
C 4.920121 -0.064993 0.767089
H -4.083732 1.896031 0.173329
H 1.509166 0.163775 0.184127
H -1.187827 -1.321718 -0.498685
H 4.623066 -1.676070 -2.274005
H -2.630472 -2.884946 0.849687
H 6.364939 -0.996950 -0.565195
H -4.803315 -2.051104 1.854678
H 5.644614 0.236578 1.528064


