%chk=000188567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188567

0 1
O 0.671725 -0.198682 -2.163146
O 0.758633 2.062530 2.069677
N 1.782461 -0.903975 -0.303725
N -0.063371 1.912423 -0.062566
C -1.232465 -0.151650 0.609061
C 2.165716 -0.719081 1.124970
C 2.935648 -1.432253 -1.092288
C 3.705204 -0.697990 1.148033
C 4.184515 -1.246031 -0.210798
C -2.243815 0.567487 1.458381
C -1.421094 -1.642424 0.518791
C -3.432032 1.084468 0.629761
C -2.495146 -1.989012 -0.525524
C -3.809669 0.204260 -0.571109
C -3.844255 -1.301390 -0.270357
C -0.245657 0.482850 -0.055478
C 0.762776 -0.202520 -0.942446
C 0.450007 2.614971 1.024779
H 1.763495 -1.572965 1.709859
H 1.727958 0.211762 1.558029
H 3.016132 -0.902989 -2.066748
H 2.746523 -2.502905 -1.317175
H 4.096287 -1.301051 1.984024
H 4.076592 0.330221 1.306364
H 4.899785 -0.550492 -0.682210
H 4.718806 -2.202822 -0.083424
H -2.616853 -0.110912 2.253744
H -1.766799 1.408397 2.005540
H -0.475938 -2.162465 0.256599
H -1.709969 -2.050481 1.508823
H -4.307036 1.193465 1.300164
H -3.202458 2.103620 0.260718
H -2.121106 -1.718917 -1.535505
H -2.637335 -3.087161 -0.540167
H -4.800377 0.525691 -0.947550
H -3.100021 0.396439 -1.402426
H -4.613104 -1.780460 -0.908302
H -4.169861 -1.475763 0.772256
H -0.285524 2.365796 -0.947561
H 0.543024 3.700711 0.858234


%chk=000188567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188567

0 1
O 0.933993 0.514990 -2.117752
O -0.258976 2.884220 2.159277
N 1.885601 -0.661055 -0.356540
N -0.143872 2.156314 -0.085881
C -1.097125 -0.012514 0.708439
C 2.175519 -0.880447 1.089627
C 2.995775 -1.151355 -1.225491
C 3.703061 -1.119636 1.105082
C 3.953480 -1.858110 -0.236327
C -2.249180 0.618691 1.473899
C -1.151505 -1.532843 0.633192
C -3.428963 1.065684 0.560066
C -2.271330 -2.042963 -0.329773
C -3.812662 0.044043 -0.546251
C -3.694143 -1.451804 -0.141652
C -0.155527 0.714858 0.030081
C 0.911755 0.152640 -0.886712
C -0.151350 3.105380 0.918997
H 1.639123 -1.773250 1.467403
H 1.852323 -0.011574 1.686177
H 3.469231 -0.288288 -1.730989
H 2.604685 -1.816188 -2.014944
H 4.024931 -1.700679 1.985556
H 4.237943 -0.152282 1.114108
H 5.003337 -1.801983 -0.568830
H 3.684308 -2.926015 -0.136968
H -2.630045 -0.131004 2.193432
H -1.891929 1.479329 2.067077
H -0.198878 -1.966380 0.282746
H -1.346915 -1.933517 1.648442
H -4.301983 1.253897 1.215790
H -3.179561 2.032594 0.082747
H -1.952228 -1.838085 -1.371561
H -2.319830 -3.145636 -0.222097
H -4.850012 0.257310 -0.871016
H -3.171980 0.207079 -1.436014
H -4.381288 -2.044535 -0.777782
H -4.039481 -1.598315 0.902424
H 0.069771 2.478097 -1.039248
H -0.054671 4.134029 0.500567


