%chk=000229825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229825

0 1
S 5.963131 0.372553 -0.058976
O 6.019208 -1.367145 0.218464
O 6.324947 0.616430 -1.458522
N 0.012870 0.581143 0.442022
N 7.370807 -1.639173 0.535767
C 1.418193 0.428185 0.259193
C 4.188402 0.345540 0.041020
C -4.699350 -0.352957 -0.266012
C 2.034285 0.806852 -0.950163
C 2.192758 -0.001463 1.356026
C 3.425329 0.761544 -1.050786
C 3.581854 -0.043524 1.236801
C -5.205667 0.950354 -0.131234
C -5.578370 -1.448731 -0.195335
C -3.265531 -0.594483 -0.492764
C -6.572757 1.152728 0.076407
C -6.942005 -1.239283 0.018765
C -2.291977 0.114391 0.097190
C -7.442060 0.060624 0.154077
C -0.864915 -0.156440 -0.157731
H 1.432567 1.143510 -1.791295
H 1.705103 -0.288455 2.286087
H 3.918017 1.044118 -1.988641
H 4.184556 -0.389533 2.079109
H -4.534025 1.805486 -0.196049
H -5.195485 -2.462417 -0.299416
H -3.042071 -1.414001 -1.183205
H -6.960516 2.165492 0.178378
H -7.618545 -2.090614 0.079433
H -2.502998 0.926215 0.802195
H -8.506093 0.220689 0.318415
H -0.643689 -0.988104 -0.848698
H 7.298137 -2.315506 1.296386
H 7.729294 -2.142725 -0.278608


%chk=000229825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229825

0 1
S 6.152229 0.473173 0.071475
O 6.322566 -1.826051 0.982899
O 6.345605 -0.407317 -1.351400
N 0.106735 0.946868 0.672525
N 6.405774 -2.374730 -0.211482
C 1.500332 0.786564 0.484030
C 4.310383 0.596238 0.233461
C -4.584214 -0.387225 -0.207781
C 2.090303 0.270094 -0.710619
C 2.353975 1.236350 1.532604
C 3.489266 0.181729 -0.837097
C 3.751693 1.129119 1.418649
C -5.242399 0.702816 0.437154
C -5.390165 -1.394933 -0.814936
C -3.124269 -0.515930 -0.272522
C -6.647661 0.775291 0.471449
C -6.797617 -1.321988 -0.780109
C -2.188430 0.338628 0.264232
C -7.433780 -0.235473 -0.135997
C -0.761945 0.112915 0.134161
H 1.451632 -0.014602 -1.554855
H 1.891589 1.655202 2.431498
H 3.961605 -0.186961 -1.754977
H 4.395381 1.454928 2.243610
H -4.652189 1.494525 0.911032
H -4.900317 -2.239950 -1.314909
H -2.751336 -1.400650 -0.812560
H -7.136581 1.619317 0.970477
H -7.397400 -2.107596 -1.252476
H -2.475666 1.239618 0.819181
H -8.527153 -0.174398 -0.106784
H -0.448914 -0.804343 -0.410734
H 7.312649 -2.442744 -0.690269
H 5.551722 -2.617183 -0.730627


