%chk=000205593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205593

0 1
O -0.438824 -0.871497 -1.976720
N -1.195026 1.560515 -0.264086
C -0.996144 0.140751 0.140820
C -2.282546 -0.705370 0.196763
C -2.059469 -2.032933 0.931793
C -0.032103 -0.433826 -0.924984
C -1.818702 2.391301 0.814714
C 1.418367 -0.432733 -0.564215
C -3.338113 -2.865292 0.986333
C -2.245723 3.741679 0.243964
C 2.183620 -1.583452 -0.800865
C 2.016551 0.713506 -0.023773
C 3.541852 -1.594192 -0.472549
C 3.377777 0.701163 0.292585
C 4.138157 -0.452732 0.074143
H -0.495763 0.123209 1.144060
H -2.643014 -0.904786 -0.835126
H -3.088493 -0.131822 0.692735
H -1.693445 -1.842748 1.959763
H -1.261430 -2.612131 0.424714
H -1.762640 1.603569 -1.120247
H -2.686858 1.891893 1.299821
H -1.049092 2.537554 1.606247
H -3.704176 -3.106794 -0.019038
H -3.170341 -3.814350 1.508256
H -4.143813 -2.339876 1.510880
H -1.414829 4.233300 -0.281328
H -3.070984 3.647410 -0.470900
H -2.575168 4.417897 1.040944
H 1.716554 -2.462120 -1.248115
H 1.420028 1.616517 0.134056
H 4.136586 -2.488436 -0.650014
H 3.846391 1.591943 0.707053
H 5.197914 -0.461016 0.325718


%chk=000205593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205593

0 1
O -0.431053 -1.449659 -1.634391
N -1.199290 1.371235 -0.257969
C -1.085468 -0.023661 0.239350
C -2.412844 -0.821258 0.292753
C -2.299345 -2.158863 1.059725
C -0.040407 -0.705404 -0.685651
C -1.798067 2.367676 0.655452
C 1.422625 -0.456742 -0.461171
C -3.642561 -2.916820 1.126423
C -1.770821 3.769430 0.021616
C 2.356346 -1.279248 -1.149594
C 1.904346 0.554894 0.412873
C 3.741419 -1.104415 -0.958670
C 3.291231 0.733173 0.598707
C 4.213138 -0.097777 -0.081873
H -0.664629 0.036396 1.263576
H -2.742500 -1.024689 -0.744677
H -3.185912 -0.187417 0.773008
H -1.931884 -1.965884 2.089281
H -1.542889 -2.797994 0.564964
H -1.599608 1.407793 -1.204951
H -2.846285 2.117036 0.950327
H -1.202152 2.372028 1.590696
H -4.014532 -3.145320 0.110195
H -3.541076 -3.873040 1.672014
H -4.415780 -2.314259 1.640192
H -0.735948 4.056766 -0.233930
H -2.373045 3.798481 -0.906548
H -2.188053 4.521206 0.715628
H 1.967376 -2.047455 -1.826395
H 1.195320 1.224312 0.908412
H 4.453103 -1.747400 -1.488216
H 3.656218 1.521908 1.265854
H 5.290129 0.041071 0.066392


