%chk=000251799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251799

0 1
S 3.213375 1.007240 0.922252
O 4.485366 1.674863 0.751500
O 2.464191 1.118557 2.149543
O -3.860957 1.885314 -2.181282
N 2.270092 1.694655 -0.367390
C 3.351337 -0.643048 0.472859
C 0.872870 1.616821 -0.529813
C -1.895697 1.393900 -0.966501
C 4.450517 -1.068926 -0.284854
C 2.381618 -1.572155 0.869922
C 0.311167 2.041012 -1.760133
C 0.033657 1.113567 0.487976
C 3.598837 -3.340738 -0.261247
C -1.057404 1.930118 -1.963774
C -1.334494 1.007323 0.261154
C 4.575483 -2.406903 -0.653125
C 2.499871 -2.912187 0.504887
C -3.349468 1.302688 -1.245094
C -4.182290 0.455661 -0.325437
C 3.720771 -4.769922 -0.666626
C -3.896139 -0.905899 -0.161616
C -5.274313 1.032366 0.335157
C -4.699528 -1.687766 0.672790
C -6.069147 0.248134 1.176695
C -5.782457 -1.110310 1.345121
H 2.763853 2.275523 -1.061611
H 5.222579 -0.349062 -0.582929
H 1.527205 -1.250436 1.476511
H 0.943786 2.452873 -2.541792
H 0.433105 0.864655 1.475771
H -1.504571 2.259701 -2.908298
H -1.978839 0.628550 1.059626
H 5.432144 -2.729652 -1.242794
H 1.740420 -3.627837 0.815868
H 4.766491 -5.089427 -0.781889
H 3.225180 -4.943290 -1.635744
H 3.256378 -5.456156 0.056027
H -3.054435 -1.353675 -0.689165
H -5.504967 2.088006 0.184994
H -4.483865 -2.747228 0.797822
H -6.915707 0.695578 1.695267
H -6.405416 -1.720688 1.997471


%chk=000251799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251799

0 1
S 3.407833 1.042858 0.030742
O 4.732071 1.720172 -0.635974
O 2.793450 1.538563 1.455119
O -3.888944 3.149517 0.084281
N 2.081251 1.216941 -1.436503
C 3.655103 -0.814630 0.143760
C 0.730311 1.418900 -1.062760
C -2.037717 1.716761 -0.449875
C 4.454833 -1.442482 -0.825101
C 3.060988 -1.492426 1.219057
C 0.051142 2.638984 -1.356464
C 0.014777 0.362442 -0.430584
C 4.064643 -3.575140 0.355263
C -1.313358 2.776522 -1.062499
C -1.347948 0.513698 -0.126084
C 4.653116 -2.833976 -0.706190
C 3.276853 -2.885979 1.313811
C -3.475977 1.958401 -0.094192
C -4.434449 0.808982 0.057753
C 4.275942 -5.074463 0.452950
C -4.325632 -0.389395 -0.698932
C -5.539355 0.975737 0.935925
C -5.299581 -1.403977 -0.568596
C -6.499752 -0.044830 1.078755
C -6.381727 -1.239348 0.326747
H 2.493738 2.021416 -1.949529
H 4.919242 -0.862486 -1.628498
H 2.477346 -0.943102 1.965230
H 0.603147 3.467989 -1.816140
H 0.534156 -0.574405 -0.203584
H -1.842877 3.711114 -1.273530
H -1.878098 -0.297070 0.383269
H 5.275978 -3.351279 -1.445013
H 2.831899 -3.440693 2.147403
H 5.338585 -5.341765 0.311840
H 3.700841 -5.605596 -0.329440
H 3.951696 -5.468946 1.430519
H -3.505267 -0.512354 -1.413920
H -5.625678 1.916981 1.488762
H -5.218358 -2.317165 -1.168422
H -7.341154 0.088059 1.767465
H -7.132472 -2.030729 0.431282


