%chk=000217784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217784

0 1
O -2.737521 -1.014479 -0.282383
O -4.860867 -2.782861 0.111446
O 3.323625 0.941058 0.961713
N -5.750208 0.736143 0.745158
N 4.821808 1.108025 -0.798639
N 2.642984 0.209558 -1.142438
C -5.514130 -0.458595 -0.111173
C -4.793396 -1.510783 0.763347
C -5.448536 2.038483 0.056125
C -3.330541 -1.134053 1.047619
C -6.201236 3.166465 0.775585
C -3.933444 2.274792 0.094185
C 6.751615 0.158530 0.529873
C 5.938468 1.400730 0.141470
C 7.650051 -0.346831 -0.605761
C -1.397365 -0.695636 -0.362239
C 1.268023 -0.064130 -0.835678
C 8.463951 -1.565534 -0.177528
C -0.926490 -0.652687 -1.690262
C -0.556313 -0.425058 0.722790
C 0.405065 -0.333965 -1.922900
C 0.781905 -0.108815 0.481302
C 3.573270 0.750017 -0.216929
H -6.448381 -0.904337 -0.512277
H -4.877112 -0.218761 -0.991824
H -5.337594 -1.691120 1.720544
H -5.780560 2.016684 -1.016626
H -6.711560 0.726692 1.097302
H -2.799878 -1.926845 1.599678
H -3.260126 -0.159134 1.564251
H -7.286519 3.068293 0.677123
H -5.921526 4.144284 0.367723
H -5.963920 3.185830 1.847286
H -3.384780 1.441496 -0.367343
H -3.569685 2.359232 1.125216
H -3.658547 3.191740 -0.434307
H 6.071437 -0.648681 0.869030
H 7.371929 0.399694 1.416837
H 6.582140 2.164846 -0.349206
H 5.514585 1.876498 1.060576
H 8.333758 0.461631 -0.933055
H 7.038179 -0.604102 -1.491603
H -4.259309 -2.800866 -0.666912
H 5.118251 0.628614 -1.647994
H 7.818212 -2.398907 0.123511
H 9.102026 -1.923856 -0.993363
H 9.117868 -1.337652 0.672433
H -1.609014 -0.867167 -2.509419
H -0.919792 -0.452884 1.746339
H 0.774034 -0.296707 -2.946304
H 1.447740 0.111211 1.325649
H 2.874325 0.214002 -2.136151


%chk=000217784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217784

0 1
O -2.654948 -1.040008 -0.375655
O -4.772275 -2.795811 -0.056083
O 3.568237 0.850295 1.162774
N -5.724280 0.759436 0.807549
N 5.033272 0.969617 -0.654094
N 2.794814 0.377496 -1.021909
C -5.554049 -0.435962 -0.047409
C -4.742493 -1.529064 0.690822
C -5.958696 2.055158 0.108243
C -3.296827 -1.092658 0.955968
C -6.544320 3.062298 1.119090
C -4.641355 2.588338 -0.497723
C 7.065719 0.117542 0.588680
C 6.188028 1.327487 0.187463
C 7.746933 -0.587962 -0.605769
C -1.295671 -0.677108 -0.438512
C 1.434783 0.036581 -0.772108
C 8.624087 -1.781549 -0.169155
C -0.721909 -0.656984 -1.732285
C -0.503328 -0.338472 0.683239
C 0.628401 -0.304315 -1.894258
C 0.853695 0.017465 0.521474
C 3.779184 0.735073 -0.083594
H -6.514311 -0.892935 -0.377273
H -4.999610 -0.146467 -0.957791
H -5.225857 -1.757518 1.658913
H -6.698230 1.929895 -0.722347
H -6.435491 0.600416 1.534544
H -2.770245 -1.835021 1.586891
H -3.289533 -0.092456 1.428942
H -7.521452 2.719519 1.511481
H -6.696791 4.047956 0.645254
H -5.851857 3.189160 1.971890
H -4.170662 1.849747 -1.171206
H -3.921103 2.816348 0.308806
H -4.827106 3.509352 -1.081243
H 6.438065 -0.604982 1.145563
H 7.843980 0.474321 1.294125
H 6.797721 2.077511 -0.353800
H 5.779101 1.805260 1.094120
H 8.368513 0.145895 -1.160376
H 6.970901 -0.947088 -1.312788
H -4.107337 -2.708352 -0.789109
H 5.197898 0.781097 -1.643345
H 8.019139 -2.542398 0.358416
H 9.105270 -2.271345 -1.035541
H 9.423426 -1.452408 0.521153
H -1.342568 -0.918700 -2.594742
H -0.926231 -0.342055 1.691938
H 1.060837 -0.294620 -2.903566
H 1.467997 0.283473 1.383440
H 3.065430 0.369603 -2.007299


