%chk=000205601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205601

0 1
O 0.693611 0.033966 2.133393
N 1.639267 1.516564 -0.399685
C 1.353769 0.070374 -0.183872
C 2.582761 -0.786561 0.176836
C 2.290221 -2.286199 0.043083
C 0.330783 0.042184 0.978142
C 2.358150 1.781743 -1.686479
C -1.107957 -0.002734 0.593037
C 3.512787 -3.129788 0.396062
C -1.602442 0.789087 -0.452915
C -1.983524 -0.825435 1.318451
C 2.856772 3.224874 -1.710866
C -3.831106 -0.097659 -0.075479
C -2.956772 0.742802 -0.784814
C -3.335175 -0.881481 0.980381
C -5.282178 -0.142435 -0.425935
H 0.875331 -0.340026 -1.110964
H 2.902975 -0.559386 1.216329
H 3.436838 -0.510690 -0.470279
H 1.959971 -2.519920 -0.987922
H 1.445101 -2.562590 0.705696
H 2.179218 1.887695 0.392604
H 3.206793 1.083229 -1.861354
H 1.630288 1.615345 -2.512629
H 3.839885 -2.951411 1.427707
H 3.294842 -4.199903 0.304088
H 4.362290 -2.909612 -0.259754
H -0.926948 1.456147 -0.996816
H -1.599290 -1.416588 2.152401
H 2.043271 3.931184 -1.493294
H 3.646819 3.402805 -0.972549
H 3.260997 3.483744 -2.695941
H -3.335733 1.364522 -1.592988
H -4.007223 -1.526316 1.542399
H -5.729098 -1.126989 -0.232632
H -5.846446 0.590973 0.170805
H -5.466750 0.091882 -1.482848


%chk=000205601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205601

0 1
O 0.664684 -0.637781 2.079307
N 1.607143 1.324312 -0.316259
C 1.442260 -0.145916 -0.185363
C 2.732470 -0.929241 0.163723
C 2.585878 -2.460880 0.010666
C 0.337918 -0.344563 0.889262
C 2.265787 1.824438 -1.541127
C -1.099895 -0.158935 0.512613
C 3.896267 -3.213743 0.326164
C -1.509837 0.360249 -0.744742
C -2.099639 -0.531312 1.452441
C 2.306430 3.362553 -1.544311
C -3.880794 0.117324 -0.117089
C -2.878529 0.494223 -1.050448
C -3.465023 -0.399990 1.139517
C -5.353015 0.289616 -0.441515
H 1.056991 -0.511942 -1.158636
H 3.013788 -0.694410 1.208663
H 3.551578 -0.572451 -0.493619
H 2.261183 -2.699737 -1.023839
H 1.786002 -2.819015 0.687073
H 1.989563 1.744087 0.541618
H 3.302198 1.428573 -1.674636
H 1.679752 1.467762 -2.412538
H 4.222885 -3.013620 1.363694
H 3.772134 -4.306850 0.215853
H 4.712088 -2.895429 -0.350698
H -0.757857 0.691053 -1.467078
H -1.775028 -0.926395 2.421052
H 1.285599 3.774880 -1.462451
H 2.900005 3.746261 -0.692474
H 2.769945 3.740658 -2.473308
H -3.179309 0.901404 -2.023443
H -4.222474 -0.702008 1.873116
H -5.971154 -0.476184 0.059188
H -5.717944 1.278628 -0.101132
H -5.539953 0.227776 -1.527846


