%chk=000115446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115446

0 1
O -0.009539 1.324527 0.579335
O -0.655712 0.127225 -1.228004
N 5.688504 -1.754904 -0.262633
N 3.431431 -0.058196 0.365902
C 5.645224 -1.039191 1.063495
C 5.328115 -0.626028 -1.194980
C 6.306323 0.349363 0.827561
C 6.097458 0.623448 -0.677361
C 4.135798 -0.898549 1.395373
C 3.794871 -0.450377 -1.040539
C 7.012854 -2.365381 -0.560204
C 1.948192 -0.123054 0.559224
C 1.393109 1.254057 0.172401
C -0.949651 0.715205 -0.213970
C -2.311994 0.937674 0.427800
C -3.232140 1.708649 -0.497378
C -2.943289 -0.382366 0.823007
C -4.028322 2.732648 0.037596
C -2.936196 -1.480900 -0.048474
C -3.314681 1.403504 -1.863395
C -3.560704 -0.491779 2.077991
C -4.899096 3.444834 -0.791783
C -3.540549 -2.680267 0.335567
C -4.185693 2.120472 -2.687292
C -4.165249 -1.694147 2.455410
C -4.979489 3.141223 -2.154401
C -4.156213 -2.789781 1.586669
H 6.154334 -1.617335 1.860664
H 5.576537 -0.866583 -2.248298
H 7.372559 0.332200 1.094214
H 5.830361 1.128481 1.444176
H 5.516421 1.545435 -0.837902
H 7.053644 0.748042 -1.205128
H 3.699299 -1.916702 1.490827
H 4.016409 -0.383492 2.371752
H 3.294836 -1.389240 -1.366754
H 3.442429 0.363587 -1.707894
H 7.209231 -3.161057 0.176296
H 6.966368 -2.844522 -1.551476
H 7.862388 -1.667175 -0.551870
H 1.447600 -0.917433 -0.038297
H 1.693713 -0.331418 1.620946
H 1.837831 2.076718 0.761105
H 1.466659 1.460195 -0.907728
H -2.137281 1.551694 1.360236
H -3.975008 2.974520 1.097243
H -2.452941 -1.399858 -1.025784
H -2.692716 0.609246 -2.285041
H -3.575599 0.356205 2.759854
H -5.516430 4.238308 -0.373714
H -3.531851 -3.531469 -0.343915
H -4.245340 1.881202 -3.748160
H -4.644939 -1.775908 3.429439
H -5.657859 3.697376 -2.798202
H -4.627420 -3.724827 1.882794


%chk=000115446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115446

0 1
O -0.026276 1.233711 0.800698
O -0.632894 0.109244 -1.149719
N 5.838592 -1.691840 -0.253376
N 3.456072 -0.227260 0.517797
C 5.796015 -0.886666 1.012507
C 5.175479 -0.735532 -1.202054
C 6.238119 0.563931 0.601160
C 5.827404 0.662018 -0.905249
C 4.331880 -0.903998 1.508730
C 3.667462 -0.736194 -0.862786
C 7.203088 -2.096556 -0.662982
C 2.037623 -0.150820 0.916731
C 1.410287 1.155442 0.392655
C -0.952673 0.653454 -0.067080
C -2.370355 0.814903 0.491987
C -3.198379 1.711009 -0.450369
C -3.048434 -0.537353 0.775659
C -3.541033 3.022815 -0.039775
C -2.844137 -1.690074 -0.024480
C -3.619905 1.255539 -1.724480
C -3.948874 -0.614529 1.869198
C -4.298815 3.867055 -0.883406
C -3.528956 -2.891840 0.267758
C -4.373563 2.099275 -2.568989
C -4.636298 -1.813369 2.157822
C -4.717920 3.406780 -2.152011
C -4.427942 -2.959575 1.355968
H 6.448202 -1.342567 1.777994
H 5.316286 -1.071906 -2.244130
H 7.327233 0.694738 0.735516
H 5.720683 1.324009 1.210110
H 5.110238 1.482046 -1.077433
H 6.705009 0.828701 -1.556045
H 4.040036 -1.968818 1.676525
H 4.250544 -0.364336 2.471836
H 3.286210 -1.779133 -0.981567
H 3.119440 -0.090626 -1.573894
H 7.622485 -2.775719 0.100852
H 7.143166 -2.655427 -1.614080
H 7.919411 -1.251955 -0.804104
H 1.441716 -1.018946 0.548126
H 1.974659 -0.153695 2.020247
H 1.881313 2.033400 0.858874
H 1.469081 1.220222 -0.707360
H -2.261638 1.349596 1.450886
H -3.212662 3.386090 0.942033
H -2.143548 -1.649307 -0.865086
H -3.357135 0.245584 -2.054815
H -4.116689 0.271939 2.493521
H -4.559417 4.878381 -0.551371
H -3.358324 -3.776259 -0.356673
H -4.693859 1.736922 -3.552406
H -5.328585 -1.854121 3.006390
H -5.305440 4.058425 -2.808518
H -4.957384 -3.892707 1.578957


