%chk=000207468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207468

0 1
O 0.356801 2.738870 0.807781
O 5.545088 -0.802424 -0.077515
N -3.227757 0.631683 0.114149
C -5.992768 -0.370652 0.329960
C -5.526307 0.530042 -0.829654
C -4.780551 -1.164764 0.857093
C -4.379230 1.452614 -0.388227
C -3.644638 -0.218915 1.277690
C -7.111831 -1.332118 -0.113753
C -2.068799 1.509277 0.480063
C -8.441837 -0.606029 -0.357676
C -0.771822 0.705995 0.281530
C -9.547068 -1.575323 -0.771789
C 0.452191 1.564040 0.503028
C 1.787265 0.923617 0.346138
C 1.953652 -0.402042 -0.099192
C 2.919014 1.692443 0.655584
C 3.218748 -0.964350 -0.235063
C 4.347013 -0.160516 0.090744
C 4.203756 1.160764 0.532859
C 3.395986 -2.381908 -0.703136
C 3.103451 -3.382870 0.414224
C 6.778834 -0.062178 0.199617
C 7.861856 -1.093383 -0.114271
C 9.249914 -0.515031 0.129133
H -6.380675 0.275850 1.154032
H -5.187143 -0.097762 -1.677426
H -6.366456 1.138291 -1.209876
H -5.072524 -1.796539 1.714429
H -4.413461 -1.852432 0.069783
H -4.746808 2.183210 0.364037
H -4.020181 2.037580 -1.263334
H -2.762741 -0.816954 1.593683
H -3.958905 0.382818 2.158102
H -7.256596 -2.112936 0.657863
H -6.805869 -1.874440 -1.028493
H -2.115473 1.904954 1.517436
H -2.041194 2.403533 -0.182673
H -8.746425 -0.060901 0.557140
H -8.311234 0.166798 -1.140777
H -0.753328 -0.169649 0.960930
H -0.765662 0.278129 -0.745069
H -9.731394 -2.331449 -0.000338
H -10.491377 -1.047803 -0.946334
H -9.292351 -2.106516 -1.695932
H 1.080585 -1.008639 -0.348095
H 2.783147 2.724969 0.996737
H 5.063279 1.774478 0.779933
H 2.738350 -2.578812 -1.574170
H 4.434792 -2.530608 -1.073576
H 3.769244 -3.223158 1.271595
H 3.247486 -4.412853 0.070586
H 2.074574 -3.293300 0.779686
H 6.773097 0.245419 1.258186
H 6.818450 0.817552 -0.463466
H 7.757903 -1.434134 -1.165050
H 7.700958 -2.000788 0.503966
H 9.445179 0.360928 -0.501098
H 9.389718 -0.210500 1.173306
H 10.027271 -1.255779 -0.097939


%chk=000207468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207468

0 1
O 0.337112 2.751773 0.750453
O 5.591639 -0.924036 -0.052162
N -3.322261 0.672656 0.090464
C -6.098235 -0.388340 0.262228
C -5.698376 0.766175 -0.689235
C -4.845648 -1.255783 0.538221
C -4.493843 1.557566 -0.141618
C -3.663555 -0.409574 1.048832
C -7.264956 -1.248498 -0.284023
C -2.125501 1.449631 0.501186
C -8.607640 -0.497138 -0.440472
C -0.823408 0.651674 0.313801
C -9.760033 -1.427098 -0.878426
C 0.432193 1.510746 0.494904
C 1.773298 0.860075 0.357724
C 1.938600 -0.517126 0.036306
C 2.935147 1.652023 0.547169
C 3.208222 -1.112468 -0.094655
C 4.356217 -0.283416 0.101106
C 4.217926 1.092529 0.420988
C 3.367607 -2.590767 -0.409553
C 3.733751 -3.431681 0.843330
C 6.824752 -0.122076 0.090876
C 8.005295 -1.060613 -0.168637
C 9.355895 -0.324947 -0.025813
H -6.423133 0.061680 1.227741
H -5.430292 0.343090 -1.678328
H -6.544817 1.463018 -0.840287
H -5.081649 -2.042010 1.282833
H -4.542825 -1.763130 -0.399595
H -4.800650 2.078462 0.805524
H -4.195883 2.340901 -0.863473
H -2.778032 -1.056371 1.188778
H -3.922547 0.017701 2.055907
H -7.419820 -2.111296 0.398404
H -6.969591 -1.678347 -1.265015
H -2.197865 1.809127 1.557836
H -2.068757 2.356055 -0.127530
H -8.867774 -0.013487 0.523757
H -8.497717 0.320035 -1.180144
H -0.768927 -0.203925 1.016276
H -0.824589 0.210808 -0.703798
H -9.922315 -2.232623 -0.137254
H -10.710179 -0.872580 -0.989070
H -9.533976 -1.907424 -1.849379
H 1.058586 -1.150841 -0.123857
H 2.802647 2.711177 0.791725
H 5.097598 1.724947 0.570551
H 2.425763 -2.973290 -0.846109
H 4.162306 -2.724911 -1.166594
H 4.689666 -3.085795 1.272777
H 3.840984 -4.499479 0.578024
H 2.952965 -3.346019 1.620717
H 6.872375 0.303451 1.114755
H 6.810125 0.712158 -0.640840
H 7.906570 -1.487515 -1.183953
H 7.952845 -1.905951 0.542615
H 9.437107 0.513810 -0.742514
H 9.485810 0.086115 0.992894
H 10.196994 -1.013429 -0.219265


