%chk=000186775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186775

0 1
O 5.195900 -1.190856 -1.282205
O 3.249678 -3.270897 -0.408952
O 1.570595 2.856727 1.150116
O 4.068879 3.856120 -0.274981
N 4.388050 1.581288 -0.580309
C -0.898171 -0.233275 0.660427
C 0.328073 0.003510 1.556929
C -2.197413 0.113542 1.398409
C 1.598774 -0.307074 0.825074
C -3.422117 -0.132768 0.508656
C 2.473944 0.715532 0.427543
C 3.682034 0.401196 -0.274110
C -4.726766 0.223358 1.238935
C 1.938709 -1.628970 0.517015
C 4.040545 -0.918887 -0.561013
C 3.128295 -1.939606 -0.174267
C 2.377386 2.161725 0.603925
C -5.917076 -0.028103 0.353279
C 3.673886 2.739233 -0.112438
C -6.562533 -1.274237 0.372219
C -6.385020 0.979573 -0.504560
C -7.665103 -1.505817 -0.454404
C -7.487773 0.742688 -1.329103
C 6.396841 -1.195471 -0.457542
C -8.130835 -0.499096 -1.305988
C 4.361796 -3.757106 -1.211063
H -0.922194 -1.287133 0.320448
H -0.810256 0.381254 -0.258139
H 0.256938 -0.617505 2.474542
H 0.325655 1.059990 1.915823
H -2.173980 1.172965 1.723041
H -2.278196 -0.484163 2.326689
H -3.343417 0.462929 -0.422332
H -3.453954 -1.191635 0.185188
H -4.809626 -0.363033 2.176234
H -4.702548 1.284133 1.562202
H 1.278881 -2.449530 0.799040
H 5.229405 1.597089 -1.143653
H -6.204079 -2.062436 1.030510
H -5.887773 1.947012 -0.528947
H -8.162815 -2.473775 -0.434658
H -7.847169 1.528270 -1.991660
H 7.176758 -1.424717 -1.192164
H 6.554067 -0.213105 -0.006208
H 6.328061 -1.969420 0.310840
H -8.989556 -0.680917 -1.947722
H 4.481138 -3.154987 -2.120094
H 5.272046 -3.742253 -0.606626
H 4.039134 -4.780462 -1.438245


%chk=000186775-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186775

0 1
O 5.440295 -0.888585 -1.145899
O 4.130834 -3.185747 0.197624
O 0.935751 2.657536 0.584087
O 3.174429 3.882626 -1.091630
N 3.978739 1.648401 -0.988948
C -0.838602 -0.327350 0.738603
C 0.384212 -0.300360 1.702170
C -2.171112 -0.103453 1.485571
C 1.701254 -0.468272 0.971900
C -3.396154 -0.147530 0.546029
C 2.309063 0.612434 0.277030
C 3.544158 0.433927 -0.414952
C -4.735005 0.109425 1.293504
C 2.356223 -1.722205 0.909182
C 4.207674 -0.798315 -0.457875
C 3.562838 -1.902107 0.188605
C 1.931665 2.028969 0.142221
C -5.940702 0.047884 0.367319
C 3.079188 2.692791 -0.718954
C -6.660508 -1.161643 0.186810
C -6.345695 1.188725 -0.374038
C -7.751508 -1.232846 -0.709211
C -7.435535 1.123897 -1.271053
C 6.601274 -1.207243 -0.271788
C -8.142834 -0.089039 -1.442969
C 4.422414 -3.785080 -1.130573
H -0.863725 -1.297524 0.202488
H -0.711690 0.463403 -0.025231
H 0.268201 -1.103460 2.454502
H 0.371411 0.670156 2.232637
H -2.135967 0.879079 1.999820
H -2.288071 -0.871122 2.279702
H -3.277766 0.609204 -0.255136
H -3.447767 -1.132930 0.040226
H -4.838304 -0.640717 2.102423
H -4.678454 1.102504 1.781601
H 1.928591 -2.599791 1.404191
H 4.826035 1.737588 -1.550337
H -6.365264 -2.051794 0.757028
H -5.804955 2.134615 -0.242054
H -8.297687 -2.175402 -0.831836
H -7.735667 2.016935 -1.831415
H 7.467592 -1.264091 -0.947452
H 6.749394 -0.403108 0.472397
H 6.448456 -2.171133 0.245350
H -8.990330 -0.140555 -2.135869
H 3.471859 -3.999705 -1.652226
H 5.046423 -3.114559 -1.746155
H 4.952427 -4.723533 -0.911720


