%chk=000191714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191714

0 1
O 1.806621 1.522631 2.105221
O 3.141892 -0.856926 1.634517
O 1.800848 -2.552641 -0.365948
O 4.457714 -1.808341 -0.449813
O 2.165592 3.853576 -0.396925
O -0.483659 0.252345 -1.831554
N -0.291326 1.307252 0.172193
C 2.121153 1.054414 0.781741
C 2.021684 -0.485843 0.794606
C 1.082252 1.741370 -0.132403
C 2.129687 -1.175635 -0.584235
C 3.519943 -1.060692 -1.229180
C 1.202843 3.271571 0.037583
C -0.977456 0.478606 -0.736991
C -2.273668 -0.056253 -0.238729
C -2.502190 -1.447955 -0.263706
C -3.266747 0.820809 0.222656
C -3.732775 -1.937183 0.211146
C -1.470544 -2.385554 -0.785165
C -4.484457 0.320901 0.680785
C -4.712187 -1.061792 0.677616
H 3.155687 1.387373 0.525888
H 1.085728 -0.819906 1.302176
H 1.317816 1.496040 -1.213608
H 1.321023 -0.816697 -1.276493
H -0.576238 1.385344 1.148452
H 3.549183 -1.563172 -2.217430
H 3.853293 -0.015274 -1.338468
H 0.371552 3.767718 0.555320
H 2.433207 1.117753 2.754524
H 3.027914 -1.789508 1.931344
H 2.635363 -3.082294 -0.256039
H 4.610155 -1.341878 0.419256
H -3.088615 1.896913 0.212770
H -3.922440 -3.009767 0.205748
H -1.827276 -3.419290 -0.872126
H -1.126593 -2.080579 -1.791972
H -0.563510 -2.416476 -0.157345
H -5.256836 1.000278 1.035579
H -5.663632 -1.454138 1.038609


%chk=000191714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191714

0 1
O 1.567074 1.340298 2.097691
O 3.279050 -0.804166 1.888037
O 3.086387 -2.667465 -0.202310
O 5.270392 -1.001503 -0.192100
O 2.186347 3.547733 -0.485411
O -0.660783 -0.217613 -1.772117
N -0.333897 0.996940 0.176038
C 2.075178 0.924556 0.778018
C 2.296214 -0.595393 0.784533
C 1.010365 1.401438 -0.229512
C 2.832109 -1.245447 -0.515698
C 4.137111 -0.617524 -1.057124
C 1.104339 2.922659 -0.447992
C -1.111832 0.182644 -0.648269
C -2.477825 -0.159326 -0.124193
C -3.079207 -1.426231 -0.410909
C -3.189380 0.810926 0.633672
C -4.376981 -1.673210 0.105094
C -2.385381 -2.502308 -1.226029
C -4.483053 0.545628 1.125673
C -5.077532 -0.708519 0.862356
H 3.024355 1.455300 0.563061
H 1.348760 -1.102590 1.056251
H 1.178085 0.935044 -1.225334
H 2.043344 -1.219549 -1.289138
H -0.575495 1.141859 1.159941
H 4.378589 -1.044438 -2.043605
H 4.059385 0.482802 -1.158448
H 0.117484 3.425480 -0.604500
H 2.169573 0.938376 2.776840
H 3.320815 -1.784415 2.043516
H 4.080502 -2.759077 -0.153386
H 5.059967 -0.677771 0.728633
H -2.741124 1.796065 0.806580
H -4.844569 -2.643895 -0.096768
H -2.971936 -3.436839 -1.211143
H -2.250637 -2.177756 -2.271796
H -1.370907 -2.720828 -0.846445
H -5.022094 1.308290 1.697431
H -6.081792 -0.933075 1.238464


