%chk=000215837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215837

0 1
O -2.857188 -0.050778 -1.939255
O 1.734003 1.429793 -0.216694
O 2.178653 1.439804 1.997104
N -1.192244 0.417097 -0.464696
C 0.267001 -3.178580 -0.265405
C -1.824821 -4.059662 -0.171317
C -0.618415 -1.951218 0.128729
C -2.071008 -2.542292 0.110756
C -0.672023 -3.976382 -1.214575
C 0.332191 -4.121565 0.969808
C -1.100096 -4.718571 1.036091
C -0.427306 -0.795688 -0.866939
C -2.854516 -2.256469 1.385164
C -0.589160 1.265725 0.583077
C -2.414749 0.695668 -1.078387
C 0.506791 2.180488 0.020223
C -3.131905 1.939608 -0.637874
C -2.870734 3.156252 -1.279160
C -4.097589 1.859003 0.372729
C -3.573586 4.302283 -0.895462
C -4.795919 3.009225 0.751724
C 2.511250 1.109279 0.880297
C -4.532709 4.229620 0.120361
C 3.713014 0.352579 0.462154
C 4.616040 -0.056233 1.457666
C 3.955949 0.044765 -0.885077
C 5.759371 -0.773683 1.100799
C 5.101906 -0.673482 -1.233805
C 6.001543 -1.081910 -0.242768
H 1.247755 -2.915498 -0.674387
H -2.724320 -4.595026 -0.492415
H -0.355188 -1.603238 1.149283
H -2.637445 -2.111597 -0.752890
H -0.941999 -3.440401 -2.131953
H -0.273412 -4.952846 -1.510974
H 0.598908 -3.583618 1.889712
H 1.089826 -4.905817 0.827602
H -1.597603 -4.489968 1.989550
H -1.085930 -5.813425 0.936687
H 0.650422 -0.522962 -0.946455
H -0.762997 -1.102684 -1.887497
H -3.853087 -2.705992 1.340334
H -2.981345 -1.178697 1.533128
H -2.354912 -2.656750 2.275483
H -1.369327 1.886176 1.082468
H -0.157398 0.618793 1.386647
H 0.729321 3.016415 0.707984
H 0.286822 2.553565 -0.997038
H -2.134966 3.205745 -2.081055
H -4.310058 0.903041 0.851669
H -3.377893 5.251025 -1.392992
H -5.549859 2.952596 1.535679
H -5.079831 5.123829 0.416398
H 4.415298 0.191526 2.503730
H 3.247634 0.370493 -1.651476
H 6.462454 -1.092834 1.869292
H 5.294756 -0.914896 -2.278420
H 6.895329 -1.642532 -0.518464


%chk=000215837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215837

0 1
O -3.249745 -0.142920 -1.805334
O 1.712858 1.302486 -0.196688
O 2.144899 1.334867 2.096691
N -1.343881 0.516155 -0.625489
C 0.236172 -3.069421 -0.777218
C -1.650262 -3.919747 0.178970
C -0.419711 -1.813868 -0.107960
C -1.772143 -2.387459 0.478294
C -1.008946 -3.885934 -1.237729
C 0.798057 -3.980964 0.354536
C -0.506128 -4.560556 1.021648
C -0.604257 -0.672212 -1.136788
C -2.054514 -2.011708 1.945352
C -0.716311 1.291509 0.462040
C -2.655844 0.712614 -1.067676
C 0.503784 2.137592 0.049961
C -3.384949 1.979063 -0.678146
C -2.831698 3.273254 -0.859225
C -4.730080 1.859424 -0.243473
C -3.602256 4.425943 -0.589231
C -5.493402 3.010144 0.046121
C 2.459656 0.954261 0.940814
C -4.931164 4.297698 -0.123855
C 3.635036 0.103961 0.601516
C 4.459980 -0.342526 1.667376
C 3.942567 -0.263836 -0.734813
C 5.582585 -1.151318 1.398683
C 5.068023 -1.072578 -0.998118
C 5.888515 -1.517744 0.065846
H 0.978382 -2.819562 -1.556057
H -2.614167 -4.450726 0.262963
H 0.235484 -1.461671 0.715364
H -2.605424 -2.002343 -0.142194
H -1.635463 -3.365916 -1.984040
H -0.744545 -4.887263 -1.624088
H 1.425503 -3.412062 1.065283
H 1.423283 -4.789398 -0.067625
H -0.581051 -4.314305 2.095130
H -0.540372 -5.662565 0.938323
H 0.389279 -0.333041 -1.485118
H -1.178227 -1.041479 -2.002623
H -2.950617 -2.538214 2.325468
H -2.242013 -0.926231 2.049074
H -1.207803 -2.265955 2.610335
H -1.468670 1.970875 0.894511
H -0.404482 0.607900 1.273431
H 0.736368 2.859908 0.853131
H 0.341488 2.656467 -0.907614
H -1.812823 3.383979 -1.247275
H -5.167556 0.859658 -0.154416
H -3.169172 5.419752 -0.748104
H -6.527401 2.905041 0.392451
H -5.527132 5.191506 0.091652
H 4.203816 -0.044810 2.689536
H 3.304873 0.090965 -1.549213
H 6.217862 -1.495644 2.221686
H 5.306823 -1.355647 -2.028865
H 6.761612 -2.146301 -0.142311


