%chk=000201494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201494

0 1
O -3.647683 0.062356 -0.642720
O -5.713221 0.131557 -1.594895
N -0.194626 0.004928 0.157522
N -5.439150 -0.048006 0.733312
C -3.058249 -0.039503 0.715202
C -2.215455 -1.314784 0.727097
C -2.217601 1.221033 0.918078
C -1.014304 -1.195842 -0.225120
C -1.016389 1.248043 -0.041127
C -4.295100 -0.112274 1.666156
C 1.074594 0.067524 -0.659923
C -5.036415 0.057005 -0.602152
C 1.914639 -1.183575 -0.441626
C 1.912415 1.273437 -0.256920
C 2.515548 -1.802695 -1.547551
C 2.511706 2.052274 -1.257816
C 2.116473 -1.710643 0.842537
C 2.113848 1.602733 1.091606
C 3.311130 -2.938055 -1.367582
C 3.305262 3.149387 -0.910075
C 2.910296 -2.846609 1.017093
C 2.905674 2.701277 1.434111
C 3.509577 -3.462346 -0.086846
C 3.503316 3.476446 0.434698
H -2.830664 -2.186202 0.428459
H -1.853440 -1.509436 1.756934
H -1.855647 1.259652 1.965478
H -2.834095 2.126420 0.753370
H -0.384022 -2.107344 -0.134961
H -1.379873 -1.149447 -1.276177
H -1.382070 1.358892 -1.087310
H -0.387637 2.136846 0.184556
H -4.316033 -1.051627 2.256945
H -4.320202 0.730002 2.388316
H 0.825987 0.149716 -1.756088
H -6.394029 -0.061886 1.051666
H 2.370770 -1.401311 -2.548611
H 2.367213 1.804953 -2.307653
H 1.644848 -1.229513 1.700494
H 1.643518 0.997732 1.867987
H 3.777737 -3.413623 -2.228543
H 3.770636 3.749349 -1.690209
H 3.064995 -3.251567 2.015543
H 3.060081 2.952462 2.481913
H 4.129678 -4.345456 0.051143
H 4.121862 4.330119 0.703189


%chk=000201494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201494

0 1
O -3.716718 -0.147159 -0.684992
O -5.844915 0.310209 -1.580037
N -0.200437 0.004926 0.149128
N -5.435436 0.199343 0.756858
C -3.101929 -0.130787 0.699057
C -2.182334 -1.354315 0.812017
C -2.289661 1.172739 0.834368
C -0.960450 -1.248077 -0.122464
C -1.078081 1.183718 -0.112974
C -4.340279 -0.177678 1.655172
C 1.073964 0.093052 -0.633254
C -5.105410 0.145387 -0.592488
C 1.927216 -1.176342 -0.476191
C 1.899520 1.322214 -0.214125
C 2.362172 -1.886341 -1.620677
C 2.691246 1.995966 -1.175095
C 2.320717 -1.638660 0.805769
C 1.937426 1.762871 1.132893
C 3.178273 -3.034579 -1.493308
C 3.512783 3.083271 -0.800822
C 3.128503 -2.787763 0.937454
C 2.752926 2.851851 1.509701
C 3.564170 -3.489549 -0.212525
C 3.547885 3.514847 0.545081
H -2.756356 -2.268504 0.572024
H -1.832954 -1.430774 1.860638
H -1.931742 1.253665 1.879533
H -2.943242 2.040543 0.625094
H -0.299310 -2.113393 0.045064
H -1.309301 -1.285710 -1.183472
H -1.438295 1.185901 -1.170443
H -0.495820 2.106137 0.045603
H -4.481898 -1.193031 2.077730
H -4.222745 0.538477 2.488066
H 0.846365 0.198753 -1.726054
H -6.397793 0.350222 1.049861
H 2.057493 -1.542350 -2.617059
H 2.669034 1.665261 -2.221272
H 1.985533 -1.096420 1.696358
H 1.305762 1.253823 1.869839
H 3.507126 -3.572870 -2.389446
H 4.120137 3.594053 -1.556665
H 3.424452 -3.134738 1.934188
H 2.769935 3.184325 2.554186
H 4.195786 -4.379166 -0.110143
H 4.182579 4.359050 0.837323


