%chk=000195905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195905

0 1
S 7.559551 1.385908 -0.530315
O 5.202852 -1.102038 1.522229
O 8.177289 1.999308 0.917337
O 6.257934 1.976775 -0.703823
O 8.595827 1.642451 -1.492593
N 6.453037 -2.455513 -0.577839
C 2.407211 -0.367238 0.146034
C 1.102111 -0.992566 -0.364341
C 3.632204 -1.147007 -0.349292
C -0.121794 -0.204998 0.122540
C 4.936872 -0.565356 0.207429
C -1.428119 -0.830621 -0.384682
C -2.652083 -0.042615 0.101386
C -3.958867 -0.668156 -0.404851
C -5.182876 0.119966 0.080979
C 6.191063 -0.990718 -0.618863
C -6.489972 -0.505359 -0.424773
C -7.713541 0.283934 0.061499
C -9.019722 -0.340764 -0.444064
C -10.294169 0.404431 0.009364
C 7.448306 -0.283786 -0.078257
C -10.338164 1.839049 -0.531404
C -10.447872 0.393738 1.535425
H 2.473927 0.688189 -0.189572
H 2.397421 -0.331461 1.252217
H 1.108423 -1.027879 -1.471294
H 1.029329 -2.045231 -0.029307
H 3.650341 -1.134364 -1.457282
H 3.544454 -2.212615 -0.058131
H -0.129771 -0.163771 1.228806
H -0.052601 0.846912 -0.217253
H 4.878248 0.548611 0.292756
H -1.422303 -0.870012 -1.491207
H -1.499487 -1.882194 -0.046041
H -2.658974 -0.001249 1.207658
H -2.582400 1.008812 -0.238644
H -3.953112 -0.708726 -1.511211
H -4.029757 -1.719447 -0.065323
H 6.020609 -0.706965 -1.692877
H -5.189423 0.161345 1.187222
H -5.113009 1.171202 -0.259193
H -6.484013 -0.546544 -1.530939
H -6.560599 -1.556398 -0.084838
H -7.720332 0.324893 1.167751
H -7.643550 1.335008 -0.279011
H -9.080847 -1.393080 -0.104843
H -9.004432 -0.382622 -1.550524
H -11.166342 -0.150613 -0.425072
H 8.347544 -0.862597 -0.410783
H 7.472847 -0.412523 1.036497
H 6.531921 -2.772949 0.389419
H 5.681606 -2.970921 -0.993567
H 4.439399 -0.949764 2.112022
H -9.540045 2.456789 -0.105460
H -10.221704 1.859228 -1.619859
H -11.289457 2.324557 -0.290234
H -9.652562 0.965262 2.026199
H -10.411459 -0.625597 1.933246
H -11.402082 0.835473 1.840711
H 8.653813 2.839116 0.865535


%chk=000195905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195905

0 1
S 7.808389 1.259528 -0.683382
O 5.114472 -0.646824 1.670934
O 9.597813 1.428673 -0.129493
O 6.913945 2.422725 0.012411
O 7.737804 1.106546 -2.296829
N 6.279671 -2.556109 0.109984
C 2.440559 -0.351161 0.246981
C 1.130559 -0.823649 -0.423403
C 3.697990 -0.999966 -0.374311
C -0.135771 -0.194669 0.199299
C 5.013864 -0.448438 0.203446
C -1.445475 -0.672516 -0.467199
C -2.712867 -0.038879 0.149569
C -4.023768 -0.529691 -0.505096
C -5.291268 0.108742 0.106766
C 6.264591 -1.167732 -0.353615
C -6.602733 -0.392531 -0.538796
C -7.871070 0.250161 0.068567
C -9.171474 -0.272450 -0.586481
C -10.499556 0.338022 -0.051863
C 7.567709 -0.491449 0.138333
C -10.600017 1.858752 -0.326178
C -10.725628 0.031584 1.448994
H 2.511126 0.754756 0.168034
H 2.386470 -0.595100 1.329557
H 1.166972 -0.579679 -1.505476
H 1.064278 -1.929444 -0.355812
H 3.699472 -0.809913 -1.467543
H 3.674544 -2.096677 -0.233488
H -0.169362 -0.432900 1.283279
H -0.070101 0.911138 0.125863
H 5.088785 0.637088 -0.021677
H -1.410865 -0.439701 -1.552100
H -1.513649 -1.777968 -0.389103
H -2.741570 -0.261364 1.236975
H -2.650552 1.066047 0.060674
H -3.993857 -0.312670 -1.593510
H -4.088385 -1.634168 -0.410973
H 6.228362 -1.141747 -1.458710
H -5.316782 -0.100263 1.196932
H -5.231539 1.212693 0.004281
H -6.576112 -0.188046 -1.629934
H -6.664604 -1.496246 -0.432508
H -7.889756 0.048146 1.158557
H -7.806595 1.351002 -0.046684
H -9.212463 -1.374939 -0.459292
H -9.114851 -0.087908 -1.680311
H -11.319948 -0.154392 -0.617402
H 8.481419 -1.011162 -0.189349
H 7.558821 -0.278467 1.218618
H 6.103967 -2.665499 1.111866
H 6.972252 -3.184596 -0.298605
H 4.412474 -0.115797 2.119380
H -9.843132 2.423087 0.250021
H -10.447179 2.083576 -1.398737
H -11.594780 2.246168 -0.035975
H -9.979144 0.547931 2.080883
H -10.650583 -1.053528 1.652530
H -11.727345 0.369765 1.774373
H 9.915173 2.338806 -0.396577


