%chk=000267018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267018

0 1
O 4.809291 2.748985 -0.375584
O 4.456577 -2.012943 -0.483866
N 3.312082 1.135912 -1.129049
N 3.044495 -1.126317 1.127632
N 2.216114 1.845925 -0.719545
N 1.948625 -1.744515 0.585626
C 6.376144 0.087254 0.017524
C 5.710636 0.677133 -1.233381
C 5.384725 -0.411572 1.079355
C 4.616062 1.661441 -0.859640
C 4.304376 -1.282881 0.466192
C -2.548332 2.475880 -0.090834
C -2.793164 -2.635226 0.220025
C -1.382107 1.706001 -0.547756
C -1.633616 -1.971951 0.836821
C -2.554037 3.881462 -0.109276
C -2.781682 -4.012518 -0.056095
C -3.689298 1.791295 0.365837
C -3.936672 -1.877706 -0.087735
C 1.024652 1.340288 -0.907156
C 0.772676 -1.551738 1.122283
C -0.116122 2.139303 -0.439244
C -0.364840 -2.233883 0.488685
C -3.676852 4.586063 0.332348
C -3.898970 -4.619413 -0.636103
C -4.806170 2.500134 0.810427
C -5.047050 -2.488361 -0.672345
C -4.802914 3.899238 0.795860
C -5.031252 -3.860449 -0.946972
H 7.032855 -0.751362 -0.298874
H 7.036757 0.849761 0.482081
H 5.350372 -0.149233 -1.884759
H 6.469666 1.216590 -1.841348
H 5.929667 -1.004765 1.845932
H 4.965795 0.461969 1.623598
H 3.212487 0.207121 -1.570144
H 2.955371 -0.489834 1.929782
H -1.614726 0.730024 -0.985132
H -1.880142 -1.231881 1.603604
H -1.684437 4.425082 -0.476660
H -1.904589 -4.609742 0.188743
H -3.703190 0.695763 0.373215
H -3.952329 -0.802464 0.123930
H 0.791596 0.374469 -1.380001
H 0.546889 -0.927648 1.998599
H 0.133157 3.108647 0.007119
H -0.112766 -2.961496 -0.291124
H -3.673329 5.675141 0.314047
H -3.885747 -5.688010 -0.846719
H -5.683240 1.963174 1.168193
H -5.927782 -1.895600 -0.915307
H -5.674909 4.450484 1.141580
H -5.898807 -4.335331 -1.400990


%chk=000267018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267018

0 1
O 5.222492 2.942608 -0.218723
O 4.545308 -2.031952 -0.558449
N 3.641730 1.468677 -1.152521
N 2.965335 -1.072735 0.889419
N 2.536064 2.191210 -0.737935
N 1.898339 -1.793578 0.376789
C 6.465778 0.067418 0.170204
C 5.993769 0.789801 -1.128075
C 5.316254 -0.384905 1.106080
C 4.952460 1.863629 -0.806165
C 4.271664 -1.250270 0.390835
C -2.384861 2.324731 -0.266162
C -2.985871 -2.557786 0.336907
C -1.103289 1.757393 -0.701891
C -1.745531 -1.898063 0.761861
C -2.505497 3.609095 0.345029
C -3.013126 -3.671023 -0.555949
C -3.571931 1.555977 -0.452620
C -4.228554 -2.067591 0.837471
C 1.352204 1.648606 -0.989593
C 0.695472 -1.485467 0.841466
C 0.145946 2.314267 -0.548070
C -0.465369 -2.200300 0.357030
C -3.761797 4.097504 0.751833
C -4.233998 -4.264674 -0.928971
C -4.829575 2.046178 -0.044440
C -5.450474 -2.664556 0.465122
C -4.931618 3.320336 0.560983
C -5.459856 -3.766438 -0.421521
H 7.062976 -0.812368 -0.127673
H 7.121439 0.747076 0.743900
H 5.601542 0.039342 -1.838103
H 6.862393 1.283828 -1.596787
H 5.748234 -0.984547 1.932049
H 4.839400 0.499690 1.571833
H 3.521051 0.564386 -1.637115
H 2.812291 -0.356455 1.617032
H -1.165812 0.772484 -1.190262
H -1.871968 -1.071527 1.478528
H -1.615115 4.229186 0.496429
H -2.076535 -4.076707 -0.953881
H -3.499990 0.566845 -0.922078
H -4.226288 -1.211389 1.523914
H 1.240179 0.677544 -1.515052
H 0.531781 -0.684058 1.591891
H 0.290226 3.285509 -0.059636
H -0.260782 -3.002296 -0.362486
H -3.835375 5.087306 1.216268
H -4.235427 -5.120045 -1.613747
H -5.727258 1.437787 -0.202012
H -6.392580 -2.274562 0.866031
H -5.906965 3.706335 0.877038
H -6.406889 -4.233754 -0.712626


