%chk=000214230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214230

0 1
S 5.687252 0.645342 0.436210
O -0.230330 -2.505078 -0.254003
O 5.638832 1.960893 1.126562
N -3.607111 0.010384 0.070415
C -3.892582 0.890665 -1.111003
C -4.853774 -0.680190 0.541566
C -4.930409 1.959005 -0.728237
C -5.907306 0.364440 0.946689
C -6.223462 1.311679 -0.217199
C -2.535488 -0.986745 -0.250667
C -1.171402 -0.325067 0.014340
C -0.041450 -1.319381 -0.073552
C 1.355513 -0.781051 0.049743
C 1.635553 0.456726 0.643505
C 2.405786 -1.573575 -0.442864
C 3.987390 0.112816 0.226650
C 2.958379 0.903801 0.732203
C 3.727159 -1.125824 -0.357205
C 6.057622 0.974460 -1.309128
H -4.248379 0.318713 -1.995236
H -2.941921 1.385001 -1.404733
H -4.585300 -1.296384 1.427429
H -5.277344 -1.368483 -0.220934
H -5.137933 2.605880 -1.599292
H -4.507948 2.615657 0.058695
H -5.529693 0.949300 1.809598
H -6.823989 -0.146895 1.291322
H -6.937264 2.090603 0.108250
H -6.722722 0.758584 -1.034871
H -2.576880 -1.370230 -1.292297
H -2.633096 -1.881623 0.405559
H -1.004832 0.514966 -0.689794
H -1.192159 0.147569 1.022871
H 0.833929 1.076789 1.045614
H 2.176059 -2.547351 -0.885530
H 3.188177 1.869895 1.198028
H 4.532122 -1.751271 -0.740685
H 5.367789 1.692271 -1.765343
H 6.027741 0.054967 -1.896670
H 7.060670 1.407441 -1.396008


%chk=000214230-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214230

0 1
S 5.779346 0.816759 0.545484
O -0.232512 -2.487828 -0.442095
O 5.524128 2.446435 0.829060
N -3.683304 -0.041071 0.085194
C -3.915649 1.065346 -0.879559
C -4.938761 -0.798468 0.336447
C -4.985826 2.046923 -0.358038
C -6.037779 0.120964 0.904403
C -6.307549 1.306803 -0.050053
C -2.573815 -0.938803 -0.320025
C -1.199863 -0.269123 -0.136168
C -0.035928 -1.253892 -0.232349
C 1.368879 -0.732099 -0.059460
C 1.650095 0.640043 0.181475
C 2.441900 -1.663357 -0.130641
C 4.013307 0.134362 0.253349
C 2.981148 1.080454 0.343256
C 3.774982 -1.236302 0.032288
C 6.324218 0.754276 -1.306963
H -4.239927 0.660403 -1.876537
H -2.965160 1.606414 -1.041286
H -4.714883 -1.609660 1.054062
H -5.315571 -1.280723 -0.605166
H -5.149291 2.844359 -1.108596
H -4.606823 2.526656 0.565046
H -5.704870 0.505802 1.887774
H -6.961143 -0.467458 1.067980
H -7.047720 2.001091 0.390749
H -6.744396 0.925219 -0.996439
H -2.680099 -1.299124 -1.373626
H -2.606746 -1.839973 0.317993
H -1.040377 0.538414 -0.878576
H -1.182594 0.224387 0.857323
H 0.835372 1.367754 0.250435
H 2.198828 -2.716156 -0.308500
H 3.248253 2.126976 0.542879
H 4.597524 -1.959945 -0.006532
H 5.600116 1.367871 -1.861203
H 6.329173 -0.291793 -1.648647
H 7.330512 1.196765 -1.334737


