%chk=000297822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297822

0 1
O -3.551733 0.945849 1.412503
O -2.468002 0.370614 -0.493762
O 0.230647 0.040192 2.058394
O 3.877877 0.952875 0.150999
O 3.036774 -0.588678 -1.330506
N -1.017122 -1.592493 1.094128
N 2.626859 -0.738724 0.977533
C -2.307228 -1.031097 1.559841
C -3.312662 -2.191048 1.416609
C -2.724773 -3.127675 0.344226
C -1.221960 -2.797527 0.239319
C -2.734213 0.139006 0.658197
C 0.193782 -0.965065 1.365356
C 1.457193 -1.628897 0.817816
C -4.139818 2.123902 0.775325
C -5.414592 1.733368 0.083223
C 3.142737 -0.165475 -0.199240
C -5.367699 1.185508 -1.207713
C -6.649960 1.915245 0.720096
C 4.753153 1.501108 -0.884233
C -6.551240 0.831498 -1.859083
C -7.832228 1.560390 0.063346
C -7.784511 1.020438 -1.225640
C 6.110663 0.864207 -0.792356
C 6.679175 0.602258 0.462548
C 6.817918 0.549697 -1.961046
C 7.952030 0.032945 0.546623
C 8.094044 -0.014013 -1.871012
C 8.662227 -0.272178 -0.619439
H -2.209582 -0.658228 2.615324
H -4.322012 -1.833691 1.142545
H -3.424360 -2.716387 2.383380
H -3.224850 -2.964376 -0.629049
H -2.887127 -4.186519 0.606940
H -0.592558 -3.632338 0.610671
H -0.929524 -2.578774 -0.811175
H 1.664717 -2.567882 1.389021
H 1.341006 -1.927355 -0.255775
H -4.290702 2.786933 1.647928
H -3.397054 2.568166 0.084740
H 2.594363 -0.139856 1.817238
H -4.400241 1.031067 -1.695111
H -6.692124 2.329637 1.726124
H 4.272692 1.370313 -1.873350
H 4.772101 2.572730 -0.601800
H -6.512839 0.409641 -2.862170
H -8.791238 1.705145 0.557789
H -8.706272 0.747258 -1.736178
H 6.115240 0.835255 1.366437
H 6.375271 0.735034 -2.938491
H 8.390735 -0.173428 1.521311
H 8.643626 -0.256951 -2.778847
H 9.654895 -0.713223 -0.552652


%chk=000297822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297822

0 1
O -3.714897 0.864605 1.495390
O -2.974345 0.712262 -0.718268
O 0.190259 0.794328 0.960948
O 4.434253 1.343373 -0.743685
O 3.889069 -0.587007 -2.003872
N -0.920156 -1.082177 0.170195
N 2.385646 0.390305 -0.500728
C -2.097959 -0.833249 1.024933
C -2.877865 -2.176789 0.941442
C -2.560216 -2.684658 -0.488675
C -1.083011 -2.272403 -0.708139
C -2.941621 0.330120 0.472772
C 0.150117 -0.221727 0.192402
C 1.309000 -0.552945 -0.759160
C -4.666806 1.977738 1.112256
C -6.015592 1.430403 0.704167
C 3.584441 0.296442 -1.152388
C -6.281381 1.113810 -0.653799
C -7.032725 1.232565 1.672668
C 5.811718 1.315549 -1.336326
C -7.542799 0.604383 -1.033474
C -8.294215 0.721978 1.294013
C -8.551630 0.407448 -0.061015
C 6.778494 0.522741 -0.481491
C 7.560958 1.170189 0.507892
C 6.914859 -0.878567 -0.662644
C 8.463308 0.433040 1.307191
C 7.816258 -1.616675 0.135911
C 8.593071 -0.963171 1.121777
H -1.792986 -0.573160 2.051141
H -3.955656 -2.045962 1.128974
H -2.476143 -2.870556 1.701797
H -3.204442 -2.173533 -1.224575
H -2.704806 -3.772143 -0.595702
H -0.386701 -3.077426 -0.399292
H -0.875964 -2.019355 -1.763190
H 1.652498 -1.596526 -0.612037
H 0.959718 -0.486551 -1.810817
H -4.720678 2.573644 2.036170
H -4.190988 2.555427 0.301880
H 2.195160 1.130781 0.183792
H -5.492640 1.262137 -1.399931
H -6.834622 1.479168 2.723055
H 5.733440 0.895442 -2.354075
H 6.084439 2.382064 -1.377871
H -7.741276 0.366429 -2.084420
H -9.074760 0.575536 2.048845
H -9.531672 0.016457 -0.356906
H 7.459476 2.252845 0.653621
H 6.299595 -1.377350 -1.420015
H 9.064094 0.943431 2.068439
H 7.915685 -2.698100 -0.011330
H 9.294498 -1.536206 1.739054


