%chk=000289221.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289221

0 1
O 2.609072 0.581376 -1.445702
O 4.079492 -2.938124 -1.125741
O 5.594323 -1.748867 0.111977
O 1.029434 -1.639948 2.316151
N -0.521243 -1.144744 0.750578
N 1.704809 1.462419 0.582043
N -3.296348 0.366714 -1.071925
C 1.933106 2.878080 0.190676
C 1.905631 -0.981924 0.149942
C 3.051304 2.957798 -0.888102
C 2.837319 1.928519 -1.996668
C 2.045171 0.487193 -0.180333
C 3.242010 -1.518496 0.685917
C 0.804234 -1.234803 1.188381
C 4.266402 -1.688294 -0.437660
C -1.629697 -1.305887 1.756112
C -0.991730 -0.445304 -0.483854
C 0.611755 3.454653 -0.345427
C 2.374174 3.625760 1.457444
C -2.829748 -0.710963 1.085911
C -2.462179 -0.211312 -0.231316
C 4.047737 1.740394 -2.894609
C -4.117715 -0.587165 1.509408
C 4.940267 -3.936731 -0.524562
C 5.954570 -3.138571 0.310056
C -5.067730 0.036609 0.626487
C -4.627646 0.497762 -0.647849
C -6.436873 0.208602 0.983927
C -5.555510 1.118345 -1.540559
C -7.312991 0.809002 0.109949
C -6.868207 1.266975 -1.162253
H 1.651584 -1.542595 -0.795251
H 4.035988 2.797456 -0.404579
H 3.099499 3.973798 -1.317939
H 1.912515 2.138110 -2.580480
H 3.074209 -2.483404 1.211053
H 3.649979 -0.845775 1.471573
H 4.264864 -0.890894 -1.210070
H -1.369511 -0.798969 2.714211
H -1.755407 -2.389336 1.979605
H -0.824211 -1.094596 -1.372805
H -0.461435 0.519470 -0.652746
H 0.694285 4.528564 -0.538729
H 0.289916 2.970954 -1.272702
H -0.197397 3.315819 0.385358
H 2.552731 4.685646 1.259824
H 1.605975 3.549192 2.239872
H 3.287705 3.195443 1.885542
H 4.951651 1.497909 -2.319601
H 3.890960 0.904521 -3.591985
H 4.255352 2.638987 -3.485630
H -4.447973 -0.941481 2.484333
H 5.377443 -4.476504 -1.379658
H 4.303238 -4.607732 0.072757
H 5.899213 -3.343121 1.390946
H 6.994544 -3.208845 -0.046139
H -6.773281 -0.143538 1.958479
H -5.192056 1.460992 -2.510818
H -8.360472 0.943042 0.377607
H -7.588402 1.737720 -1.831330


%chk=000289221-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289221

0 1
O 3.216117 0.889251 -1.180932
O 3.302109 -3.097724 -1.181344
O 5.341316 -2.617971 -0.054314
O 1.288331 -1.097459 2.526912
N -0.355106 -0.692593 0.967078
N 1.600207 1.763329 0.412314
N -3.289689 0.026410 -1.062779
C 1.922032 3.192906 0.091864
C 2.020685 -0.679453 0.202360
C 3.289036 3.310461 -0.646645
C 3.419595 2.259332 -1.760467
C 2.234048 0.788003 -0.162566
C 3.353391 -1.368817 0.621095
C 0.968308 -0.820142 1.327051
C 4.088843 -2.004882 -0.561357
C -1.400154 -0.781493 2.027089
C -0.890367 -0.304738 -0.361607
C 0.760389 3.763467 -0.762843
C 1.982817 3.938714 1.445066
C -2.677673 -0.520536 1.265643
C -2.385434 -0.247876 -0.115703
C 4.783504 2.229533 -2.446968
C -4.002329 -0.506078 1.684936
C 3.825583 -4.353186 -0.594676
C 5.326728 -4.044011 -0.455373
C -5.024525 -0.218110 0.716416
C -4.623917 0.044147 -0.655578
C -6.416433 -0.180536 1.050636
C -5.626735 0.331615 -1.633449
C -7.375407 0.103708 0.074817
C -6.977676 0.361226 -1.275771
H 1.645797 -1.203392 -0.701547
H 4.111446 3.158312 0.079743
H 3.406102 4.321588 -1.079519
H 2.615434 2.394749 -2.512035
H 3.128862 -2.146096 1.371331
H 4.029175 -0.648449 1.114067
H 4.310535 -1.288335 -1.369228
H -1.201367 -0.035027 2.820968
H -1.369793 -1.775145 2.513310
H -0.640368 -1.045520 -1.145702
H -0.498861 0.681239 -0.677887
H 0.876746 4.855465 -0.891122
H 0.716145 3.296171 -1.763524
H -0.203600 3.572854 -0.259509
H 2.210171 5.009888 1.290839
H 1.014964 3.849935 1.967792
H 2.759535 3.500735 2.096464
H 5.588287 2.069356 -1.708364
H 4.827001 1.415234 -3.190538
H 4.968344 3.187113 -2.967008
H -4.282385 -0.707702 2.725675
H 3.591858 -5.162852 -1.302899
H 3.357797 -4.554312 0.389267
H 5.832570 -4.614420 0.340442
H 5.855904 -4.175386 -1.419604
H -6.720052 -0.378647 2.085912
H -5.294715 0.523935 -2.658345
H -8.438019 0.130153 0.339716
H -7.740407 0.581961 -2.030502


