%chk=000203270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203270

0 1
O 6.227858 -0.350150 1.192999
O 1.420735 -0.461694 -2.735466
O -2.422316 0.845697 2.443016
O -4.945478 -0.618482 -0.469009
O -4.762681 -0.400791 1.771557
N 4.084921 0.378178 -0.544225
N 1.274154 0.481948 -0.628394
C 4.409254 -1.064422 -0.281221
C 5.332114 1.209758 -0.468755
C 5.048553 -1.175415 1.111651
C 5.945447 1.037794 0.931241
C 3.426057 0.533947 -1.875750
C 1.955589 0.110735 -1.809234
C -0.097053 0.250698 -0.337213
C -0.559945 0.657597 0.929235
C -0.979087 -0.346415 -1.262571
C -2.812521 -0.151371 0.339527
C -1.911913 0.453391 1.244502
C -2.310247 -0.535964 -0.920444
C -4.219509 -0.385520 0.692488
C -6.365313 -0.927351 -0.327634
C -6.539495 -2.374102 0.088529
H 3.465832 -1.651498 -0.314134
H 5.091555 -1.500016 -1.043626
H 6.081999 0.935085 -1.242273
H 5.060183 2.274174 -0.632407
H 4.346870 -0.883654 1.912526
H 5.452028 -2.185695 1.305049
H 6.944900 1.502538 1.006597
H 5.280556 1.427614 1.721919
H 3.458553 1.602244 -2.195348
H 3.911040 -0.044198 -2.697742
H 1.840707 0.902243 0.125250
H 0.103648 1.120240 1.649730
H -0.614979 -0.660215 -2.247125
H -3.000125 -0.996937 -1.638683
H -1.738783 1.254796 3.035985
H -6.726802 -0.720843 -1.351138
H -6.809835 -0.221995 0.397538
H -7.592111 -2.676517 0.061159
H -5.975580 -3.051916 -0.564080
H -6.175083 -2.534517 1.114874


%chk=000203270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203270

0 1
O 5.936052 -0.141028 1.522888
O 1.480931 -0.222308 -3.202817
O -2.037827 0.450164 2.541008
O -4.903076 -0.675404 -0.459379
O -4.625594 -0.153304 1.798180
N 4.059860 0.353856 -0.637606
N 1.404579 0.256221 -0.882453
C 4.427250 -1.036334 -0.233297
C 5.187946 1.290091 -0.364692
C 4.820900 -1.061826 1.252215
C 5.563324 1.225636 1.125483
C 3.543510 0.416883 -2.026412
C 2.031527 0.098240 -2.110497
C 0.040768 0.104947 -0.547269
C -0.334730 0.340610 0.799040
C -0.951156 -0.269771 -1.495631
C -2.691145 -0.166194 0.274721
C -1.680124 0.210780 1.212360
C -2.281330 -0.396953 -1.068479
C -4.119270 -0.315245 0.662589
C -6.356167 -0.874359 -0.197554
C -6.636978 -2.301240 0.285170
H 3.560760 -1.702521 -0.403265
H 5.277756 -1.412991 -0.848658
H 6.082877 1.033925 -0.979082
H 4.872657 2.318136 -0.624087
H 3.943931 -0.785303 1.878478
H 5.181746 -2.059774 1.548918
H 6.447957 1.847541 1.337969
H 4.706058 1.575920 1.741420
H 3.679117 1.443394 -2.417741
H 4.066347 -0.268845 -2.726949
H 2.096733 0.503440 -0.148595
H 0.429183 0.633793 1.532918
H -0.664830 -0.450565 -2.532555
H -3.053527 -0.683702 -1.785973
H -1.241170 0.708743 3.071503
H -6.826620 -0.669192 -1.173146
H -6.686513 -0.130524 0.549023
H -7.727968 -2.454758 0.384873
H -6.247586 -3.043343 -0.433331
H -6.172460 -2.477835 1.269614


