%chk=000201263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201263

0 1
O 4.619396 0.041472 0.481508
N -3.029840 -1.633466 -0.133587
N -0.601480 1.162860 -0.926278
C -2.685241 -0.351604 -0.843130
C -1.232686 -0.050569 -0.610033
C -0.293017 -0.955578 -0.119514
C -0.670541 -2.325068 0.307424
C -2.019795 -2.720084 -0.332275
C -3.626024 0.762797 -0.331392
C 0.981972 -0.296592 -0.100542
C 0.766628 1.035515 -0.601349
C -3.432970 1.068530 1.159793
C 2.277557 -0.694997 0.284613
C 1.817233 1.968294 -0.720616
C -4.379461 2.164954 1.640016
C 3.289369 0.242574 0.157072
C 3.079959 1.567387 -0.339178
C 4.990865 -1.251915 1.011127
H -2.833814 -0.449153 -1.956681
H 0.109217 -3.061004 0.034117
H -0.759117 -2.350690 1.415692
H -4.677802 0.464760 -0.511418
H -3.468716 1.677882 -0.931454
H -1.860416 -2.971114 -1.403222
H -2.415671 -3.631153 0.166249
H -3.948684 -1.955300 -0.454413
H -1.051801 2.001717 -1.228890
H -2.381624 1.357423 1.355809
H -3.590331 0.138682 1.746768
H 2.441162 -1.695907 0.661721
H 1.632213 2.968946 -1.100860
H -4.223271 3.104843 1.100343
H -5.429223 1.879314 1.509968
H -4.228961 2.371476 2.706246
H 3.937553 2.233751 -0.402377
H 4.796352 -2.034849 0.272638
H 4.467242 -1.441864 1.952504
H 6.068164 -1.126973 1.178202


%chk=000201263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201263

0 1
O 4.692056 0.044718 0.508777
N -2.997551 -1.633739 -0.146153
N -0.594448 1.139829 -0.959324
C -2.693570 -0.352905 -0.838332
C -1.224162 -0.070920 -0.633823
C -0.281825 -0.961542 -0.121038
C -0.662005 -2.360504 0.295596
C -2.014940 -2.723690 -0.366254
C -3.624981 0.773525 -0.306840
C 0.994951 -0.276715 -0.111517
C 0.770982 1.041671 -0.644605
C -3.443571 1.103027 1.190595
C 2.305085 -0.658579 0.291180
C 1.818339 1.978409 -0.779463
C -4.448392 2.165507 1.683960
C 3.345363 0.283390 0.151931
C 3.107614 1.588892 -0.376359
C 5.010957 -1.271443 1.054287
H -2.879178 -0.434501 -1.944348
H 0.107684 -3.095399 -0.014134
H -0.762461 -2.432205 1.396937
H -4.676064 0.465780 -0.493097
H -3.468778 1.688522 -0.918143
H -1.834764 -2.922062 -1.452491
H -2.423602 -3.648226 0.080973
H -3.963632 -1.931561 -0.331503
H -1.058154 1.965217 -1.331001
H -2.407992 1.454077 1.366330
H -3.554290 0.167566 1.769170
H 2.484421 -1.657797 0.698671
H 1.647155 2.982029 -1.184253
H -4.339089 3.115393 1.125484
H -5.491848 1.819855 1.553159
H -4.300758 2.388608 2.756522
H 3.957938 2.272375 -0.457299
H 4.785177 -2.077630 0.327546
H 4.460335 -1.464725 1.996863
H 6.092395 -1.248949 1.256597


