%chk=000215949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215949

0 1
O 0.604647 -0.006727 1.916761
N 1.105595 0.006372 -0.338112
N 5.343109 0.020699 -0.278537
C -1.219173 -0.005422 0.333811
C -1.879045 1.223449 0.154106
C -1.870518 -1.237211 0.143358
C -3.224362 1.213671 -0.270325
C -3.215883 -1.233044 -0.281041
C -3.869594 -0.011033 -0.483310
C -1.159067 2.509408 0.398986
C -1.141649 -2.520240 0.377027
C 0.213108 -0.002399 0.770249
C -3.973054 2.487957 -0.496437
C -3.955721 -2.510462 -0.518330
C 2.525816 0.010879 -0.277516
C 3.238294 0.008517 0.935224
C 3.241760 0.018171 -1.495338
C 4.636994 0.013592 0.884905
C 4.640953 0.022850 -1.442735
H -4.910004 -0.013200 -0.811178
H -0.331632 2.408089 1.118049
H -0.737684 2.912523 -0.532795
H -1.821106 3.281125 0.817972
H -0.314989 -2.419481 1.097071
H -1.798331 -3.300181 0.789154
H -0.717414 -2.912225 -0.558199
H -3.443808 3.147820 -1.198311
H -4.976367 2.320434 -0.909529
H -4.104054 3.042994 0.444508
H -3.421731 -3.160658 -1.225609
H -4.083212 -3.074398 0.417793
H -4.960023 -2.346307 -0.930368
H 0.693833 0.009557 -1.276807
H 2.714256 0.002759 1.895910
H 2.733314 0.020132 -2.453292
H 5.232584 0.012015 1.806423
H 5.238160 0.028572 -2.362539


%chk=000215949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215949

0 1
O 0.559587 -0.026729 2.000060
N 1.146785 0.008210 -0.275201
N 5.425685 0.030708 -0.257722
C -1.219035 -0.010472 0.304258
C -1.880483 1.236510 0.113847
C -1.878200 -1.257819 0.108588
C -3.240764 1.229383 -0.310359
C -3.238479 -1.251278 -0.315549
C -3.886329 -0.011087 -0.519621
C -1.174938 2.558150 0.372048
C -1.169332 -2.579125 0.358832
C 0.221520 -0.010588 0.781363
C -3.996125 2.528133 -0.528840
C -3.991383 -2.550422 -0.540032
C 2.562483 0.014867 -0.219841
C 3.304154 0.004997 0.992441
C 3.283141 0.032650 -1.445729
C 4.713396 0.013625 0.909732
C 4.691183 0.039820 -1.411924
H -4.934166 -0.011359 -0.845624
H -0.118563 2.424326 0.654445
H -1.210336 3.217003 -0.516549
H -1.665005 3.109605 1.197239
H -0.112073 -2.444467 0.637437
H -1.654864 -3.134678 1.183956
H -1.207436 -3.234310 -0.532318
H -3.513693 3.159396 -1.299863
H -5.032780 2.335005 -0.852435
H -4.039288 3.135987 0.395443
H -3.508554 -3.176524 -1.315010
H -4.032071 -3.163262 0.381046
H -5.028837 -2.357768 -0.861348
H 0.731571 0.018563 -1.211304
H 2.791309 -0.009038 1.954600
H 2.758699 0.040724 -2.408888
H 5.310846 0.006456 1.828490
H 5.266379 0.053404 -2.344669


