%chk=000206356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206356

0 1
O 2.646280 -1.606027 -1.310005
O 3.969466 1.830677 -0.500527
O 0.659843 -2.431616 -2.215850
O -4.879013 0.128584 0.302758
O -4.950353 1.715584 2.042632
N 0.677298 -0.724446 -0.532747
C 3.033376 -0.494325 -0.395263
C 1.710082 -0.035268 0.270235
C 3.698411 0.600650 -1.258221
C 1.228690 -1.654117 -1.427613
C -0.714863 -0.500412 -0.314897
C -1.711900 -1.173244 -1.077371
C -1.122110 0.416479 0.690000
C -3.070653 -0.921619 -0.825782
C -2.486385 0.671600 0.944662
C -3.459606 -0.006279 0.177209
C 5.204403 1.810163 0.306579
C 5.086314 1.083263 1.586800
C -5.531756 0.974654 1.221575
C -7.030580 0.841003 1.060326
C 4.996709 0.504574 2.659812
H 3.740023 -0.910587 0.337056
H 1.652860 -0.339743 1.331696
H 1.609116 1.062797 0.213309
H 3.004241 0.910370 -2.058923
H 4.625060 0.203791 -1.720060
H -1.417354 -1.885975 -1.849525
H -0.382137 0.947782 1.294983
H -3.845341 -1.433528 -1.404284
H -2.780608 1.379124 1.719757
H 6.040389 1.387535 -0.290130
H 5.421131 2.874952 0.501740
H -7.465500 1.836472 0.865054
H -7.466174 0.473949 2.006318
H -7.288849 0.153244 0.243324
H 4.925687 -0.001460 3.606571


%chk=000206356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206356

0 1
O 2.614857 -1.707293 -0.872077
O 3.802892 1.806165 -0.261956
O 0.676437 -2.580695 -1.839766
O -4.974929 0.184504 0.160240
O -5.151254 1.785654 1.880653
N 0.609945 -0.777887 -0.259670
C 2.948897 -0.506445 -0.052510
C 1.603844 -0.080456 0.585993
C 3.533008 0.560359 -1.000713
C 1.205258 -1.760191 -1.067439
C -0.790372 -0.532742 -0.138941
C -1.741673 -1.199370 -0.962573
C -1.252969 0.403466 0.822997
C -3.110322 -0.919797 -0.815164
C -2.627164 0.686764 0.973170
C -3.554249 0.017560 0.143686
C 5.212579 2.007062 0.123561
C 5.729482 1.036797 1.108778
C -5.680014 1.052054 1.019919
C -7.158687 0.939728 0.721128
C 6.177182 0.236086 1.933274
H 3.692880 -0.813086 0.696200
H 1.518954 -0.406898 1.639603
H 1.486944 1.015849 0.543070
H 2.789944 0.819464 -1.776684
H 4.445412 0.170245 -1.491201
H -1.405292 -1.931462 -1.698689
H -0.549988 0.927468 1.476583
H -3.849947 -1.426196 -1.442420
H -2.963710 1.408691 1.717177
H 5.855136 1.991277 -0.781593
H 5.233368 3.026322 0.546494
H -7.720482 1.607112 1.389956
H -7.496991 -0.101690 0.859778
H -7.355805 1.210795 -0.330517
H 6.573027 -0.460615 2.650849


