%chk=000205796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205796

0 1
O -0.515003 0.779518 0.669181
O 5.721722 -0.237612 0.623967
N -3.981587 -0.257985 0.142373
N 1.073257 -0.645981 -0.320355
N 5.212641 -0.952608 -1.461082
C -2.843917 0.598731 0.597660
C -5.144323 0.558825 -0.337354
C -4.387688 -1.230221 1.212758
C -1.568405 -0.083955 0.087523
C -4.811234 1.208335 -1.680832
C -5.152143 -2.398012 0.588331
C 0.774659 0.455832 0.435982
C 1.749271 1.308095 1.016065
C 3.079499 0.999636 0.786892
C 3.417412 -0.116760 -0.011695
C 2.386683 -0.919350 -0.527072
C 4.856556 -0.419302 -0.216947
H -2.790307 0.738865 1.698653
H -2.910272 1.623548 0.169984
H -6.011422 -0.128300 -0.470769
H -5.460952 1.330908 0.396465
H -3.466319 -1.620639 1.700715
H -4.995354 -0.758060 2.014686
H -1.469967 -0.066372 -1.009568
H -1.428484 -1.109775 0.463715
H -4.040998 1.982012 -1.587249
H -4.429735 0.462053 -2.391616
H -5.698941 1.670899 -2.124206
H -6.132057 -2.091807 0.205049
H -4.596193 -2.820562 -0.260485
H -5.311088 -3.198550 1.318048
H 1.439257 2.157359 1.618969
H 3.880109 1.607986 1.221047
H 2.594746 -1.821374 -1.118331
H 4.594891 -0.962197 -2.250842
H 6.187989 -1.123979 -1.657662


%chk=000205796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205796

0 1
O -0.495517 0.931294 0.700869
O 5.844538 0.203369 0.346988
N -4.019059 -0.189795 0.142071
N 1.075985 -0.530371 -0.294032
N 5.208911 -1.360279 -1.237966
C -2.894939 0.663002 0.601774
C -5.229338 0.582342 -0.245161
C -4.307241 -1.312116 1.077014
C -1.565722 0.069685 0.119738
C -5.070870 1.305243 -1.596371
C -4.954257 -2.524678 0.381246
C 0.814311 0.578610 0.445934
C 1.828433 1.414842 0.993381
C 3.161851 1.076913 0.738096
C 3.469850 -0.070008 -0.051318
C 2.383305 -0.838932 -0.528951
C 4.918399 -0.390314 -0.289551
H -2.870340 0.777792 1.710904
H -3.003449 1.677170 0.179493
H -6.069301 -0.131112 -0.326271
H -5.515349 1.318977 0.548059
H -3.346884 -1.634521 1.521452
H -4.949614 -0.975130 1.929909
H -1.492441 0.082656 -0.981071
H -1.417343 -0.969712 0.462844
H -4.255563 2.051448 -1.573160
H -4.840959 0.574751 -2.391357
H -6.002969 1.838654 -1.861289
H -5.937111 -2.274477 -0.057492
H -4.301490 -2.886334 -0.432102
H -5.111549 -3.346326 1.104830
H 1.547385 2.285297 1.590684
H 3.992864 1.669060 1.133708
H 2.535171 -1.759459 -1.106855
H 4.502362 -1.798708 -1.823954
H 6.190241 -1.589630 -1.390095


