%chk=000297949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297949

0 1
O 3.403906 -1.617350 -2.017033
O -3.007024 -2.067118 -4.286903
O -5.040802 -1.747237 -3.629381
N 1.599245 1.494471 0.600820
N -4.529887 1.731253 0.188896
N 2.507283 -1.365330 0.063675
N -3.838339 -1.548574 -3.558882
C 0.236055 1.737020 0.007115
C -0.048939 0.512456 -0.925150
C -2.159941 2.239629 0.362267
C -0.861529 1.889836 1.093237
C 0.946797 0.525464 -2.092891
C -1.490331 0.442482 -1.367101
C -2.431601 1.182806 -0.674479
C 2.398574 0.519611 -1.589367
C 2.642739 1.561255 -0.482860
C -3.498361 2.274902 1.156163
C -3.830332 0.940776 -0.771460
C -1.973385 -0.461000 -2.339261
C 1.949454 2.470500 1.675512
C 2.828450 -0.904942 -1.204351
C -4.316029 0.051058 -1.722742
C -3.351487 -0.609224 -2.512873
C 2.978539 -2.690196 0.533116
C 4.080547 -2.569450 1.596306
C 3.551126 -2.073369 2.947926
C 4.655557 -2.025192 4.001287
H 0.230729 2.669238 -0.618589
H 0.123010 -0.423426 -0.320057
H -2.035598 3.230697 -0.147595
H -0.601444 2.678051 1.820992
H -0.961009 0.954570 1.674903
H 0.779996 -0.348972 -2.756716
H 0.777400 1.415402 -2.730283
H 3.062717 0.793310 -2.457151
H 3.633796 1.372359 -0.011535
H 2.701672 2.569700 -0.949811
H -3.442843 1.685986 2.090508
H -3.792455 3.309984 1.418767
H -5.334939 1.291514 0.629036
H -1.279416 -1.050482 -2.946426
H 2.978239 2.277527 2.022888
H 1.290797 2.303114 2.543510
H 1.879577 3.528103 1.381028
H -5.380028 -0.142499 -1.864264
H 2.114265 -0.737561 0.769620
H 2.104297 -3.251443 0.930633
H 3.363186 -3.269015 -0.344203
H 4.882695 -1.897372 1.232246
H 4.563401 -3.559040 1.722853
H 2.731690 -2.732466 3.296360
H 3.103031 -1.066903 2.832282
H 5.472172 -1.358617 3.701246
H 4.272319 -1.664250 4.962151
H 5.091758 -3.015946 4.174919


%chk=000297949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297949

0 1
O 3.213049 -1.882857 -2.065165
O -3.115094 -1.786029 -4.615344
O -5.243590 -1.247103 -4.007720
N 1.655865 1.343500 0.559383
N -4.481703 1.677227 0.259252
N 2.587296 -1.316622 0.119891
N -3.961548 -1.189436 -3.842220
C 0.255173 1.537527 0.051322
C -0.058666 0.408670 -0.990795
C -2.144127 2.014280 0.532505
C -0.811269 1.599366 1.184307
C 0.942239 0.470912 -2.169594
C -1.526381 0.412905 -1.423076
C -2.450499 1.110660 -0.641617
C 2.407512 0.399614 -1.657864
C 2.630696 1.475011 -0.573745
C -3.479533 1.952035 1.336140
C -3.857375 0.993088 -0.794807
C -2.042229 -0.358482 -2.500092
C 2.036318 2.257179 1.666009
C 2.779990 -1.036846 -1.219495
C -4.389882 0.248646 -1.863450
C -3.440599 -0.393748 -2.702128
C 2.913298 -2.623888 0.711781
C 4.042447 -2.544952 1.766597
C 3.668491 -1.723264 3.021835
C 4.805881 -1.673894 4.064873
H 0.207016 2.520795 -0.492396
H 0.112779 -0.554731 -0.464659
H -2.035430 3.053703 0.151119
H -0.521778 2.335410 1.954272
H -0.903081 0.609741 1.673288
H 0.767884 -0.354406 -2.882122
H 0.795373 1.419899 -2.724259
H 3.079416 0.616974 -2.508318
H 3.650324 1.387285 -0.156824
H 2.541559 2.485689 -1.043728
H -3.452942 1.124998 2.080834
H -3.707876 2.895097 1.859748
H -5.467048 1.543056 0.482678
H -1.401393 -0.936142 -3.170170
H 3.106106 2.108501 1.894152
H 1.467558 2.027943 2.581203
H 1.885000 3.333758 1.412469
H -5.457373 0.128481 -2.060344
H 2.196288 -0.538358 0.689087
H 2.003660 -3.055182 1.178736
H 3.210214 -3.281889 -0.123953
H 4.948388 -2.117522 1.293213
H 4.300350 -3.578631 2.075777
H 2.759154 -2.160807 3.483728
H 3.401600 -0.688750 2.721961
H 5.716405 -1.214660 3.636084
H 4.516495 -1.086035 4.955469
H 5.074889 -2.691614 4.405068


