%chk=000213234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213234

0 1
O 6.856142 -3.245961 -0.677719
O -7.348704 -2.512232 0.909205
O 2.306508 4.444589 0.490782
O 3.554555 2.241421 0.287528
O -3.238792 1.990983 -1.386765
N 2.538960 0.278066 -0.334409
N -2.862608 0.792971 0.550556
C 1.210254 2.324258 0.015749
C -1.214299 2.409014 -0.175710
C -0.028556 1.687969 -0.189964
C 1.204464 3.725908 0.248374
C 2.514005 1.627795 0.003793
C -1.199623 3.813679 0.017937
C 3.710088 -0.557095 -0.397117
C -2.528881 1.742026 -0.432075
C -4.048563 -0.016913 0.570183
C -0.007789 4.468527 0.238429
C 3.524014 -1.882679 -0.857979
C 4.984093 -0.110774 -0.019755
C -4.232647 -0.869873 1.684397
C -4.996348 0.009205 -0.463711
C 5.884157 -2.284916 -0.550460
C -6.295674 -1.651670 0.706024
C 4.604443 -2.746958 -0.934898
C 6.079288 -0.976273 -0.095370
C -5.350826 -1.686878 1.755458
C -6.126131 -0.810861 -0.399474
C 8.231464 -2.888786 -0.319275
C -8.403221 -2.560408 -0.105686
C 8.997752 -4.167858 -0.590852
C -9.368615 -3.587536 0.452137
H -0.059109 0.609067 -0.366494
H -2.143782 4.366147 -0.011134
H 0.041890 5.545749 0.400867
H 1.663300 -0.180293 -0.598247
H -2.250961 0.696260 1.363138
H 2.536582 -2.233017 -1.156245
H 5.133061 0.917059 0.333796
H -3.502500 -0.890760 2.491879
H -4.859467 0.673452 -1.326024
H 4.492307 -3.771705 -1.285328
H 7.059883 -0.615128 0.199711
H -5.518244 -2.352637 2.600079
H -6.850116 -0.778184 -1.207903
H 8.248664 -2.595796 0.744325
H 8.552581 -2.051557 -0.962285
H -7.951594 -2.872206 -1.062885
H -8.850031 -1.555229 -0.192450
H 3.184893 3.861298 0.502999
H 10.063877 -4.050881 -0.366028
H 8.902118 -4.474476 -1.642259
H 8.610601 -5.000961 0.012853
H -10.227640 -3.731608 -0.212491
H -9.746513 -3.284044 1.438775
H -8.877509 -4.560790 0.592720


%chk=000213234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213234

0 1
O 6.563078 -3.435898 -0.523055
O -6.999223 -2.904120 0.718073
O 2.440925 4.706083 0.154164
O 3.617182 2.486296 0.173298
O -3.598873 2.668957 -0.728710
N 2.495518 0.495038 -0.306751
N -2.737594 0.816561 0.435320
C 1.210718 2.579417 -0.023418
C -1.260134 2.695754 -0.092921
C -0.063008 1.949933 -0.068777
C 1.259473 4.019691 0.042851
C 2.507380 1.847748 -0.041446
C -1.181017 4.119976 -0.102213
C 3.587248 -0.425642 -0.341579
C -2.626419 2.071987 -0.166614
C -3.862364 -0.060169 0.461982
C 0.053391 4.769909 -0.022507
C 3.283886 -1.771126 -0.692584
C 4.927225 -0.073304 -0.043797
C -3.728781 -1.274967 1.191720
C -5.084848 0.214782 -0.201194
C 5.633260 -2.391403 -0.442451
C -6.006535 -1.920280 0.588639
C 4.292508 -2.744037 -0.743260
C 5.942079 -1.053161 -0.093647
C -4.786096 -2.195091 1.256212
C -6.147877 -0.712748 -0.138356
C 7.976767 -3.125249 -0.222261
C -8.294137 -2.664563 0.050119
C 8.758418 -4.425697 -0.383640
C -9.179807 -3.868402 0.359412
H -0.129412 0.854178 -0.110167
H -2.115099 4.686629 -0.168506
H 0.129422 5.860465 -0.001447
H 1.591195 0.086723 -0.549403
H -1.937972 0.510807 0.994035
H 2.251185 -2.058803 -0.930167
H 5.163064 0.959371 0.215881
H -2.790128 -1.500591 1.715040
H -5.194642 1.152119 -0.749057
H 4.068063 -3.779928 -1.013207
H 6.967597 -0.753559 0.140119
H -4.691233 -3.129654 1.816846
H -7.079618 -0.473980 -0.659253
H 8.054185 -2.733337 0.812741
H 8.338501 -2.346418 -0.924610
H -8.130763 -2.553977 -1.041921
H -8.740350 -1.725419 0.437586
H 3.195550 3.993836 0.215709
H 9.828864 -4.253412 -0.169704
H 8.665066 -4.811407 -1.413015
H 8.382103 -5.195403 0.311386
H -10.168205 -3.745879 -0.119674
H -9.328505 -3.972813 1.447641
H -8.720012 -4.797321 -0.018757


