%chk=000208731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208731

0 1
O -1.401111 0.844601 -0.789195
O -2.966704 -1.809884 1.909921
N -1.366951 -0.370581 1.139773
N -3.411288 -0.783763 -0.099087
C 2.094084 -0.899908 -0.231247
C 1.624641 0.053035 0.908092
C 0.577188 1.150570 0.623855
C 2.857021 -2.063349 0.446414
C 3.061918 -0.183127 -1.190620
C 0.922260 -1.483982 -1.032165
C 1.005748 2.104800 -0.494338
C 0.342925 1.967394 1.911265
C -0.793314 0.546388 0.225001
C -2.640162 -1.042258 1.017442
H 2.529767 0.558374 1.307523
H 1.259540 -0.573558 1.746832
H 2.207387 -2.645914 1.106916
H 3.703293 -1.704941 1.039483
H 3.258057 -2.758711 -0.298915
H 3.889802 0.291579 -0.656803
H 2.548617 0.596311 -1.770336
H 3.496609 -0.883704 -1.911563
H 0.196601 -1.990939 -0.388419
H 0.389615 -0.718623 -1.608948
H 1.272734 -2.227778 -1.757520
H 1.919342 2.646763 -0.229835
H 0.224689 2.843930 -0.716985
H 1.201083 1.563290 -1.434246
H 0.082371 1.344982 2.773002
H 1.242906 2.532006 2.185104
H -0.461888 2.702285 1.781284
H -0.846692 -0.635346 1.987027
H -4.310581 -1.231504 -0.186604
H -3.121309 -0.129238 -0.827109


%chk=000208731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208731

0 1
O -1.544792 0.917909 -0.807767
O -2.938264 -1.871051 2.032573
N -1.402304 -0.367766 1.129371
N -3.469019 -0.760182 0.032137
C 2.137703 -0.906385 -0.259321
C 1.582513 0.044697 0.860715
C 0.503828 1.151037 0.572257
C 2.828141 -2.091714 0.477797
C 3.216843 -0.201882 -1.129685
C 1.022612 -1.476908 -1.174668
C 0.916786 2.130311 -0.551269
C 0.323767 1.973847 1.892575
C -0.884744 0.556131 0.218524
C -2.666396 -1.060592 1.101838
H 2.452644 0.573764 1.302448
H 1.196959 -0.603379 1.677448
H 2.093848 -2.688475 1.051439
H 3.600590 -1.730301 1.183844
H 3.322207 -2.766106 -0.246066
H 4.032501 0.201995 -0.499190
H 2.803004 0.628445 -1.724210
H 3.665535 -0.927074 -1.835016
H 0.247519 -2.004885 -0.588854
H 0.526055 -0.687568 -1.766549
H 1.456637 -2.203762 -1.886739
H 1.934823 2.513572 -0.358656
H 0.219278 2.984770 -0.591774
H 0.894254 1.651891 -1.542818
H 0.118184 1.329893 2.767819
H 1.251077 2.537867 2.100323
H -0.503690 2.699883 1.798125
H -0.841227 -0.631894 1.942709
H -4.370706 -1.227308 -0.027221
H -3.137967 -0.079579 -0.667143


