%chk=000267999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267999

0 1
S 0.002094 2.551180 -0.003030
O 0.109324 3.277142 -1.261406
O -0.103507 3.279773 1.253983
O 4.623161 -1.036720 0.583939
O -4.626560 -1.027949 -0.583452
O 4.987585 -1.796412 -1.581922
O -4.998739 -1.774873 1.585818
N 6.482829 -2.196177 0.175040
N -6.483525 -2.191342 -0.175543
C 1.363022 1.481893 0.118652
C -1.361154 1.484634 -0.122662
C 1.987008 1.007440 -1.038459
C -1.986182 1.013768 1.035346
C 1.851849 1.123553 1.382260
C -1.850799 1.124965 -1.385583
C 3.082458 0.144981 -0.954776
C -3.083548 0.153579 0.953322
C 2.942179 0.266855 1.500208
C -2.943025 0.270483 -1.501880
C 3.538183 -0.210703 0.317138
C -3.540081 -0.203538 -0.317885
C 5.340682 -1.713185 -0.430764
C -5.346909 -1.699591 0.432513
C 7.339352 -3.160609 -0.546064
C -7.350203 -3.140999 0.552734
H 1.626036 1.319020 -2.025945
H -1.624528 1.326417 2.022240
H 1.381146 1.528670 2.286749
H -1.379216 1.527308 -2.290849
H 3.564106 -0.239299 -1.858712
H -3.566203 -0.227676 1.858046
H 3.339228 -0.027593 2.468795
H -3.340731 -0.024956 -2.469898
H 6.618745 -2.094227 1.178020
H -6.619221 -2.092314 -1.178599
H 7.174417 -4.193535 -0.194198
H 8.400052 -2.892173 -0.394804
H 7.135707 -3.133995 -1.635262
H -7.144886 -3.110309 1.641519
H -7.196097 -4.177615 0.206638
H -8.408248 -2.862670 0.401037


%chk=000267999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267999

0 1
S 0.002112 2.506194 -0.003704
O 0.115610 3.278817 -1.444754
O -0.109330 3.282583 1.435487
O 4.893336 -1.042672 0.557600
O -4.898213 -1.031451 -0.556377
O 5.478053 -1.601442 -1.697580
O -5.483217 -1.584170 1.700186
N 6.713282 -2.310530 0.171921
N -6.720528 -2.294878 -0.167351
C 1.505643 1.364095 0.119745
C -1.504436 1.367774 -0.124407
C 2.151867 0.977118 -1.062849
C -2.151792 0.985521 1.059106
C 1.959110 1.003261 1.399576
C -1.958719 1.004844 -1.403360
C 3.297472 0.154450 -0.978736
C -3.299503 0.165585 0.976985
C 3.100758 0.184193 1.487321
C -3.102458 0.188484 -1.489118
C 3.755354 -0.238886 0.303945
C -3.758226 -0.229903 -0.304726
C 5.689739 -1.656437 -0.464183
C -5.695532 -1.641353 0.466998
C 7.736270 -3.057882 -0.565515
C -7.744595 -3.038845 0.572008
H 1.786473 1.332414 -2.032048
H -1.785583 1.342360 2.027430
H 1.450403 1.377296 2.293754
H -1.448987 1.375268 -2.298456
H 3.821774 -0.172685 -1.876846
H -3.824717 -0.157927 1.875881
H 3.501687 -0.127667 2.455664
H -3.504086 -0.124845 -2.456697
H 6.745425 -2.254316 1.190194
H -6.752835 -2.240889 -1.185741
H 7.744346 -4.121703 -0.266378
H 8.741177 -2.629128 -0.398299
H 7.499834 -2.994213 -1.639097
H -7.508053 -2.972778 1.645423
H -7.754255 -4.103426 0.275619
H -8.748857 -2.609029 0.403682


