%chk=000203504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203504

0 1
O 0.191346 -0.701390 -1.000686
O -5.528943 -0.295277 -1.258409
N -1.026449 0.435257 3.207512
C 1.077766 -0.270303 0.057533
C 0.375019 -0.492707 1.414115
C -0.771420 0.487655 1.735606
C 1.498140 1.168924 -0.223188
C 2.281727 -1.205312 -0.055417
C -2.033532 0.213467 0.933984
C 1.460917 1.637204 -1.544823
C 3.431324 -0.973227 0.713367
C 1.954542 2.015850 0.796059
C 2.237073 -2.307111 -0.920314
C -2.628776 1.262874 0.207576
C -2.631877 -1.051548 0.925534
C 1.859821 2.942628 -1.841363
C 4.523351 -1.839919 0.618561
C 2.354914 3.321468 0.496488
C 3.332213 -3.170498 -1.013968
C -3.796033 1.056066 -0.515398
C -3.808151 -1.289646 0.208206
C 2.306453 3.788065 -0.820663
C 4.476080 -2.939987 -0.243979
C -4.379227 -0.229621 -0.506370
C -6.210089 -1.570498 -1.347277
H 0.010100 -1.539528 1.437859
H 1.127823 -0.432077 2.231016
H -0.421937 1.536545 1.518141
H -0.676180 -0.245693 -0.936211
H -1.332429 -0.489168 3.496452
H -1.768227 1.082752 3.461910
H 1.124160 0.967261 -2.340140
H 3.483969 -0.113792 1.379970
H 1.996698 1.665953 1.827972
H 1.342281 -2.481753 -1.524142
H -2.167792 2.252763 0.208485
H -2.174794 -1.873581 1.478938
H 1.827706 3.298959 -2.869435
H 5.413904 -1.655206 1.216215
H 2.706971 3.974914 1.292762
H 3.292573 -4.022825 -1.689515
H -4.268556 1.854303 -1.083771
H -4.253378 -2.278561 0.211585
H 2.619101 4.804384 -1.051475
H 5.328059 -3.612502 -0.316899
H -6.554273 -1.887266 -0.358843
H -5.561029 -2.316686 -1.814511
H -7.058935 -1.324808 -1.999349


%chk=000203504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203504

0 1
O 0.129994 -0.612261 -1.041893
O -5.611227 -0.335020 -1.328860
N -1.030955 0.305820 3.244595
C 1.079056 -0.206717 0.018377
C 0.429701 -0.426511 1.421942
C -0.790716 0.464376 1.783731
C 1.528628 1.252801 -0.226098
C 2.275828 -1.179888 -0.105796
C -2.042399 0.199840 0.924415
C 1.576877 1.737560 -1.558180
C 3.510745 -0.895596 0.529512
C 1.942787 2.113134 0.823785
C 2.129858 -2.403424 -0.804169
C -2.641879 1.249402 0.174810
C -2.675300 -1.069652 0.905220
C 2.024030 3.047403 -1.834919
C 4.577148 -1.819484 0.474355
C 2.389440 3.425772 0.548612
C 3.199670 -3.325536 -0.864508
C -3.824618 1.044445 -0.562602
C -3.858778 -1.297558 0.171347
C 2.432462 3.899399 -0.781919
C 4.426352 -3.040872 -0.222685
C -4.438650 -0.232032 -0.566259
C -6.277567 -1.638946 -1.378173
H 0.145631 -1.496474 1.474528
H 1.189466 -0.263991 2.207485
H -0.501777 1.520328 1.625939
H -0.747732 -0.186756 -0.852646
H -1.165801 -0.675273 3.522025
H -1.808647 0.885748 3.583590
H 1.257332 1.072083 -2.366123
H 3.652125 0.056558 1.052709
H 1.915537 1.770088 1.864544
H 1.180114 -2.607984 -1.304830
H -2.173171 2.241458 0.170318
H -2.235387 -1.903833 1.465973
H 2.056165 3.403413 -2.871150
H 5.526669 -1.582957 0.968221
H 2.701579 4.075891 1.374015
H 3.074607 -4.265545 -1.414670
H -4.286075 1.851196 -1.140000
H -4.313005 -2.293072 0.175279
H 2.778954 4.916889 -0.995641
H 5.255553 -3.756106 -0.269612
H -6.607547 -1.961833 -0.371439
H -5.618425 -2.411757 -1.819315
H -7.154650 -1.487723 -2.024141


