%chk=000244448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244448

0 1
S 0.979144 0.577938 -1.655433
O 0.532296 1.826577 -2.202351
O 0.964988 -0.587568 -2.495011
O -3.370768 1.408028 -0.016115
O 0.406638 -0.177348 2.069989
O -1.537401 2.267159 0.999226
N 0.036135 0.219031 -0.211359
C -1.433683 0.100653 -0.236066
C -1.971143 -1.117106 0.537202
C -1.640022 -2.431973 -0.176554
C 2.456641 0.714381 -0.760424
C 0.809895 0.127406 0.975099
C 2.242869 0.449106 0.609977
C -2.162825 -3.636796 0.616667
C -2.044770 1.391519 0.348311
C -1.842644 -4.957310 -0.097859
C 3.715804 1.031152 -1.229236
C 3.287061 0.499731 1.517621
C 4.786552 1.084385 -0.310658
C 4.574641 0.823068 1.039872
C -2.356725 -6.162156 0.686855
C -4.177379 2.568653 0.366852
C -3.869934 3.729839 -0.554118
H -1.765632 0.026052 -1.312818
H -3.071208 -1.011477 0.649124
H -1.559583 -1.127097 1.571458
H -2.073454 -2.433488 -1.196020
H -0.544295 -2.521242 -0.318933
H -3.255779 -3.547754 0.767525
H -1.718865 -3.642448 1.631367
H -2.286997 -4.954365 -1.112592
H -0.748838 -5.048048 -0.248652
H 3.896884 1.240200 -2.285774
H 3.114552 0.296564 2.577567
H 5.785881 1.334678 -0.669804
H 5.408244 0.867996 1.744013
H -2.122686 -7.099680 0.170226
H -3.443786 -6.123516 0.820156
H -1.906333 -6.216048 1.684573
H -3.975799 2.799900 1.427831
H -5.197039 2.162941 0.236110
H -4.554350 4.569275 -0.387127
H -2.845295 4.102134 -0.397457
H -3.944489 3.439652 -1.610459


%chk=000244448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244448

0 1
S 1.027876 0.379867 -1.777602
O 0.490398 1.700777 -2.548846
O 1.093607 -1.008582 -2.611743
O -3.344225 1.451087 0.258090
O 0.374225 0.136665 2.160316
O -1.263803 2.439424 0.640470
N 0.047927 0.112470 -0.168354
C -1.415229 0.110387 -0.238207
C -2.041866 -1.128174 0.464935
C -1.588008 -2.458918 -0.169872
C 2.569099 0.652537 -0.731790
C 0.818983 0.252573 0.984300
C 2.253236 0.528625 0.631176
C -2.248519 -3.681220 0.506075
C -1.954868 1.465158 0.280967
C -1.784139 -5.027454 -0.095210
C 3.847868 0.915860 -1.229267
C 3.287689 0.686510 1.576021
C 4.877213 1.074617 -0.266123
C 4.597045 0.960638 1.118315
C -2.450580 -6.247025 0.577023
C -4.029579 2.720182 0.672365
C -4.141138 3.682730 -0.511980
H -1.690966 0.059779 -1.312276
H -3.139184 -1.020817 0.385961
H -1.776666 -1.100471 1.536641
H -1.830492 -2.460512 -1.253085
H -0.486335 -2.551247 -0.100834
H -3.352580 -3.602993 0.418167
H -2.020816 -3.668615 1.592388
H -2.002430 -5.036136 -1.182462
H -0.682026 -5.106182 -0.000318
H 4.051535 1.000483 -2.300531
H 3.048115 0.596431 2.640327
H 5.897087 1.288915 -0.601093
H 5.407171 1.088268 1.843307
H -2.096922 -7.196727 0.135140
H -3.550743 -6.210679 0.463714
H -2.226584 -6.273830 1.660310
H -3.457611 3.165652 1.504863
H -5.013935 2.374742 1.025846
H -4.713083 4.579036 -0.207739
H -3.143103 4.009675 -0.847953
H -4.667143 3.209092 -1.358631


