%chk=000296274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296274

0 1
O -6.970602 0.334953 0.074815
O 6.970607 0.334872 -0.074796
N -4.930361 -0.552690 0.455263
N 4.930355 -0.552747 -0.455244
C -0.736489 -0.512757 0.063448
C 0.736484 -0.512765 -0.063432
C -2.906120 0.500545 -0.389075
C 2.906125 0.500517 0.389083
C -3.533709 -0.548444 0.328952
C 3.533704 -0.548485 -0.328935
C -2.747655 -1.594591 0.920063
C 2.747638 -1.594628 -0.920037
C -1.495281 0.496504 -0.506272
C 1.495286 0.496492 0.506279
C -1.372834 -1.560548 0.776438
C 1.372818 -1.560569 -0.776414
C -3.734641 1.546609 -0.984313
C 3.734658 1.546576 0.984313
C -3.401653 -2.702648 1.679135
C 3.401624 -2.702698 -1.679101
C -5.084746 1.511421 -0.842831
C 5.084762 1.511372 0.842833
C -5.774217 0.460609 -0.112615
C 5.774222 0.460549 0.112624
C -3.081735 2.650119 -1.748394
C 3.081763 2.650100 1.748385
H -0.999954 1.296148 -1.058256
H 0.999967 1.296147 1.058256
H -0.753394 -2.342884 1.218977
H 0.753370 -2.342902 -1.218947
H -5.388009 -1.306737 0.973448
H 5.387996 -1.306805 -0.973421
H -2.672225 -3.425460 2.072665
H -3.961730 -2.325872 2.547979
H -4.095125 -3.276341 1.046473
H 3.961712 -2.325934 -2.547943
H 4.095084 -3.276398 -1.046433
H 2.672188 -3.425501 -2.072632
H -5.740184 2.271519 -1.270599
H 5.740208 2.271466 1.270596
H -3.807281 3.370706 -2.154413
H -2.509388 2.262813 -2.605305
H -2.387657 3.223397 -1.115788
H 3.807317 3.370677 2.154407
H 2.509403 2.262808 2.605293
H 2.387700 3.223386 1.115770


%chk=000296274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296274

0 1
O -7.081435 0.386586 0.073484
O 7.081439 0.386507 -0.073472
N -4.985155 -0.615579 0.274900
N 4.985149 -0.615636 -0.274881
C -0.743912 -0.593326 0.037630
C 0.743906 -0.593334 -0.037613
C -2.913504 0.571532 -0.209252
C 2.913510 0.571502 0.209260
C -3.591065 -0.623802 0.201319
C 3.591058 -0.623842 -0.201301
C -2.856689 -1.805761 0.531229
C 2.856670 -1.805796 -0.531202
C -1.495144 0.556899 -0.284592
C 1.495150 0.556885 0.284599
C -1.455170 -1.763630 0.442407
C 1.455151 -1.763649 -0.442381
C -3.715539 1.751698 -0.545109
C 3.715558 1.751662 0.545108
C -3.579264 -3.063033 0.977849
C 3.579232 -3.063080 -0.977812
C -5.092850 1.690071 -0.450226
C 5.092869 1.690019 0.450226
C -5.818192 0.489823 -0.028633
C 5.818198 0.489759 0.028644
C -3.031966 3.027942 -0.991431
C 3.031999 3.027917 0.991420
H -0.974790 1.454759 -0.632105
H 0.974806 1.454754 0.632105
H -0.889617 -2.658845 0.726469
H 0.889589 -2.658861 -0.726437
H -5.483392 -1.461683 0.565991
H 5.483376 -1.461748 -0.565965
H -2.861670 -3.870212 1.196720
H -4.173359 -2.895603 1.898233
H -4.271038 -3.442447 0.199515
H 4.173330 -2.895663 -1.898196
H 4.271000 -3.442495 -0.199474
H 2.861628 -3.870253 -1.196678
H -5.720269 2.552805 -0.691606
H 5.720297 2.552748 0.691600
H -3.771537 3.816050 -1.206332
H -2.432247 2.863507 -1.906518
H -2.343252 3.408632 -0.213545
H 3.771578 3.816018 1.206316
H 2.432276 2.863495 1.906506
H 2.343290 3.408609 0.213530


