%chk=000229836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229836

0 1
O 5.427843 0.944161 1.129764
O 5.387828 1.416498 -1.079925
O -1.684555 2.322147 0.630849
O -8.050410 0.296589 1.620521
N 0.564156 0.516110 0.248627
N -7.238047 -0.528258 -0.376864
C 3.491851 0.201572 -0.057444
C 2.587800 0.823006 -1.149651
C 2.809318 0.462803 1.304071
C 1.170363 0.237892 -1.095507
C 1.384558 -0.108086 1.338888
C 3.807474 -1.268207 -0.308226
C -0.855323 0.044216 0.307460
C 4.849529 0.928214 -0.115108
C -1.757434 1.178577 -0.241418
C 4.037763 -2.145192 0.762923
C 3.913832 -1.756428 -1.620370
C -3.204656 0.746304 -0.260550
C 4.336958 -3.489559 0.527059
C 4.214139 -3.100424 -1.854890
C 4.421224 -3.972637 -0.781996
C 6.737711 1.582901 1.273114
C -4.073132 1.113855 0.777096
C -3.686080 -0.029208 -1.324299
C 6.573509 3.087528 1.313356
C -5.406551 0.708277 0.766888
C -5.016014 -0.445848 -1.350314
C -5.881830 -0.075748 -0.298221
C -8.248408 -0.310485 0.588973
C -9.578215 -0.904602 0.211323
H 3.028009 0.674349 -2.155869
H 2.541795 1.922874 -1.004809
H 2.777068 1.556433 1.490501
H 3.413087 0.038504 2.131458
H 0.538715 0.730652 -1.866753
H 1.197980 -0.847381 -1.338994
H 0.910692 0.147735 2.312387
H 1.417222 -1.217685 1.270438
H -1.041839 -0.898908 -0.245152
H -1.148826 -0.151975 1.362954
H -1.420626 1.517173 -1.248824
H 3.995119 -1.777112 1.789233
H 3.772953 -1.082123 -2.467067
H 4.509524 -4.160569 1.367106
H 4.292196 -3.466705 -2.877471
H 4.653510 -5.019815 -0.965127
H 7.072968 1.152620 2.234116
H 7.384152 1.247047 0.442745
H -0.737140 2.513840 0.832908
H -3.692645 1.736338 1.593743
H -3.022801 -0.310827 -2.141187
H 5.822267 3.393296 2.052406
H 6.246214 3.476678 0.337003
H 7.515705 3.587571 1.566558
H -6.075770 1.001878 1.583345
H -5.373652 -1.047625 -2.180846
H -7.476981 -1.054232 -1.219229
H -9.536029 -1.994968 0.093270
H -9.984620 -0.474632 -0.713417
H -10.314544 -0.698900 1.007647


%chk=000229836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229836

0 1
O 5.291708 0.989994 1.363535
O 5.275690 1.723258 -0.846823
O -1.397622 2.087039 -0.367426
O -8.002641 1.062763 1.826540
N 0.476568 0.217110 -0.079531
N -7.396593 -0.354965 0.052419
C 3.465305 0.216309 -0.043756
C 2.619664 0.783976 -1.224368
C 2.593542 0.343452 1.240762
C 1.258057 0.078137 -1.341519
C 1.218904 -0.336150 1.086024
C 3.974387 -1.228659 -0.323396
C -0.914932 -0.292030 -0.189646
C 4.748669 1.069597 0.083629
C -1.796162 0.789964 -0.902291
C 3.966811 -2.240969 0.669997
C 4.535574 -1.543211 -1.590291
C -3.276709 0.536349 -0.664192
C 4.477646 -3.530402 0.400784
C 5.048987 -2.829661 -1.862429
C 5.017824 -3.834408 -0.868643
C 6.583262 1.714756 1.589894
C -3.985935 1.240938 0.336637
C -3.966115 -0.445476 -1.418168
C 6.326986 3.176872 1.963640
C -5.345283 0.975430 0.603314
C -5.322243 -0.726206 -1.163682
C -6.023296 -0.021298 -0.148017
C -8.298568 0.166930 0.981311
C -9.704126 -0.430614 0.906232
H 3.166241 0.707307 -2.177915
H 2.451487 1.862520 -1.046466
H 2.427172 1.419820 1.435061
H 3.119415 -0.056176 2.123181
H 0.680232 0.539565 -2.162290
H 1.404209 -0.998662 -1.598111
H 0.616946 -0.151398 1.994577
H 1.343918 -1.440041 0.986740
H -0.983916 -1.266380 -0.724260
H -1.308189 -0.432143 0.833644
H -1.595312 0.756718 -1.997652
H 3.571594 -2.030509 1.667993
H 4.594461 -0.774308 -2.368015
H 4.456455 -4.295327 1.185351
H 5.478712 -3.044207 -2.847411
H 5.414795 -4.833987 -1.077585
H 7.052523 1.150643 2.411614
H 7.192174 1.634279 0.672380
H -0.442208 1.922870 -0.074377
H -3.456572 2.021672 0.890966
H -3.447186 -0.990167 -2.217094
H 5.665592 3.249619 2.844322
H 5.866808 3.721545 1.122500
H 7.285122 3.670929 2.210553
H -5.889486 1.524740 1.373405
H -5.841633 -1.489339 -1.758839
H -7.762588 -1.076688 -0.572204
H -9.821874 -1.213226 0.136113
H -10.426005 0.379086 0.702387
H -9.963342 -0.858079 1.890098


