%chk=000252546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252546

0 1
S 4.140944 -0.515203 0.248627
S -2.883978 -1.724041 0.060654
O 4.273523 -0.326164 1.685198
O 5.065697 -1.394518 -0.443984
O -3.886723 -2.418097 -0.719540
O -2.492893 -2.187160 1.370146
N -1.492272 -1.849322 -0.992236
N 4.360491 1.001679 -0.550177
N -4.034774 4.050781 0.189795
C 2.515640 -0.925124 -0.101884
C -0.156161 -1.577289 -0.665142
C -3.212520 -0.056514 0.102994
C 1.567512 -0.985590 0.929732
C 2.126881 -1.229182 -1.414176
C 0.242377 -1.306602 0.665055
C 0.808563 -1.553137 -1.706321
C 4.002247 2.239892 0.184440
C -4.063373 0.517924 -0.857943
C -2.660765 0.756797 1.108002
C -4.353788 1.872033 -0.836948
C -2.931280 2.114569 1.156795
C -3.782357 2.690664 0.175104
C 4.980116 2.600826 1.301680
H -1.652277 -2.217426 -1.942425
H 1.878932 -0.784254 1.964046
H 2.868162 -1.213257 -2.221019
H -0.461137 -1.413626 1.495648
H 0.521097 -1.787600 -2.727340
H 5.245452 1.107308 -1.064857
H 3.947628 3.069249 -0.558760
H 2.974759 2.125323 0.598760
H -4.512943 -0.118230 -1.631640
H -2.011552 0.309788 1.872022
H -5.011738 2.303313 -1.585878
H -2.496337 2.731899 1.937717
H 5.023721 1.802497 2.065334
H 6.000005 2.745414 0.931898
H 4.680638 3.519830 1.814617
H -4.700023 4.462769 -0.440118
H -3.712193 4.630982 0.943826


%chk=000252546-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252546

0 1
S 4.048407 -0.066943 0.804308
S -2.900627 -1.729250 -0.446567
O 3.828810 0.682667 2.234925
O 4.950989 -1.423234 0.667296
O -3.830371 -2.584704 -1.475220
O -2.352019 -2.351100 0.955294
N -1.395846 -1.242991 -1.636764
N 4.693550 1.281143 -0.365045
N -5.587220 3.530397 0.834690
C 2.365976 -0.438496 0.057977
C -0.135962 -1.018651 -1.030379
C -3.703855 -0.101452 -0.066456
C 1.295159 0.426060 0.349213
C 2.239584 -1.588207 -0.738136
C 0.038718 0.134492 -0.208793
C 0.968814 -1.887336 -1.268052
C 5.551513 2.270917 0.352866
C -4.501448 0.507171 -1.054131
C -3.518062 0.453767 1.214105
C -5.131097 1.724229 -0.749167
C -4.151374 1.670997 1.513581
C -4.963449 2.327633 0.537138
C 6.959729 1.779634 0.743409
H -1.411607 -2.050229 -2.289684
H 1.445296 1.298881 0.991761
H 3.100158 -2.246118 -0.896539
H -0.808863 0.806201 -0.042208
H 0.827883 -2.793918 -1.867877
H 5.230664 0.742638 -1.076224
H 5.605085 3.144641 -0.326017
H 4.988974 2.588562 1.249405
H -4.637140 0.030542 -2.029885
H -2.910163 -0.071698 1.958085
H -5.759645 2.213634 -1.501661
H -4.026391 2.116785 2.506790
H 6.897675 0.937387 1.454977
H 7.531093 1.443104 -0.142072
H 7.529912 2.593489 1.227593
H -6.175131 3.998361 0.150419
H -5.482418 3.962197 1.748743


