%chk=000058503.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058503

0 1
 O  -0.7164000       1.614600       1.430500    
 N   0.9518000      0.1181000      0.7598000    
 N    1.856200     -0.7382000      -1.780900    
 C   -1.425400     -2.8899999E-02 -0.1629000    
 C  -0.3558000      0.6554000      0.7392000    
 C   -2.081600      -1.191700      0.5020000    
 C   -2.417300      0.9975000     -0.7452000    
 C    1.237300      -1.299400      0.4921000    
 C    2.058400       1.002400       1.057500    
 C   -2.551000      -2.259200     -0.2634000    
 C   -3.550600       1.281300     -2.8700000E-02
 C   -2.226300      -1.211500       1.889100    
 C   -2.117300       1.575800      -1.951000    
 C    2.145400      -1.476000     -0.6905000    
 C    1.945400       2.320000      0.7019000    
 C    3.157500      0.4731000       1.679700    
 C   -3.165000      -3.346500      0.3582000    
 C   -4.448500       2.209700     -0.5557000    
 C   -2.840200      -2.298800       2.510900    
 C   -3.014900       2.504300      -2.478000    
 C   -3.309600      -3.366300       1.745400    
 C   -4.180500       2.821200      -1.780300    
 C    3.200400      -2.362700     -0.5983000    
 C    3.011500       3.172200      0.9898000    
 C    4.223500       1.325200       1.967800    
 C    4.150600       2.674800       1.622800    
 C    4.022600      -2.503100      -1.710800    
 C    2.677100     -0.9013000      -2.842600    
 C    3.762800      -1.762000      -2.858400    
 H  -0.8681000     -0.4294000      -1.022400    
 H   0.3288000      -1.861100      0.2821000    
 H    1.637300      -1.754300       1.405200    
 H   -2.445400      -2.256500      -1.345100    
 H   -3.779500      0.8399000      0.9338000    
 H   -1.888100     -0.3959000       2.519900    
 H   -1.210500       1.336200      -2.496900    
 H    1.093100       2.731000      0.1718000    
 H    3.246700     -0.5599000       1.992100    
 H   -3.530700      -4.177500     -0.2378000    
 H   -5.353800       2.460300     -1.0600000E-02
 H   -2.955900      -2.313300       3.590700    
 H   -2.805700       2.981500      -3.430900    
 H   -3.788400      -4.212400       2.229400    
 H   -4.878600       3.545200      -2.190000    
 H    3.394500      -2.937100      0.3007000    
 H    2.959000       4.221100      0.7128000    
 H    5.108400      0.9398000       2.466100    
 H    4.981100       3.338000       1.846200    
 H    4.864100      -3.188700      -1.683700    
 H    2.431600     -0.3006000      -3.712100    
 H    4.390400      -1.855200      -3.737200    


%chk=000058503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058503

0 1
O -0.465306 1.718523 1.123925
N 1.069325 -0.001757 0.783625
N 1.148134 -1.566720 -2.210752
C -1.240436 -0.203744 -0.211571
C -0.192502 0.598315 0.601652
C -1.988308 -1.179333 0.716385
C -2.182391 0.737375 -0.975123
C 1.422701 -1.342355 0.228380
C 2.108357 0.717288 1.496882
C -2.419591 -2.427856 0.197534
C -3.148350 1.538271 -0.317064
C -2.285424 -0.861041 2.066723
C -2.079004 0.809938 -2.386992
C 2.001836 -1.263856 -1.181523
C 2.455552 2.036776 1.116748
C 2.792406 0.093564 2.569438
C -3.137597 -3.336467 1.006065
C -3.992242 2.393227 -1.058547
C -3.002051 -1.770656 2.876445
C -2.924084 1.664346 -3.131763
C -3.432712 -3.010214 2.350397
C -3.885000 2.459815 -2.467878
C 3.349896 -0.884998 -1.405422
C 3.485151 2.718451 1.799820
C 3.829614 0.776730 3.242262
C 4.181607 2.091400 2.859586
C 3.832620 -0.813450 -2.729985
C 1.628997 -1.497343 -3.486492
C 2.957129 -1.127591 -3.795270
H -0.717183 -0.802468 -0.978002
H 0.537728 -1.995698 0.224224
H 2.166586 -1.798067 0.901996
H -2.197260 -2.681110 -0.846380
H -3.234151 1.499016 0.772557
H -1.950334 0.096102 2.483617
H -1.331322 0.192701 -2.901159
H 1.907741 2.524824 0.306453
H 2.499049 -0.910546 2.896930
H -3.465884 -4.295668 0.589453
H -4.733675 3.009951 -0.537660
H -3.224564 -1.510735 3.917780
H -2.833243 1.708157 -4.223362
H -3.989386 -3.714025 2.979467
H -4.543243 3.123333 -3.040580
H 3.997683 -0.648114 -0.555021
H 3.743694 3.740734 1.502511
H 4.349603 0.287532 4.073437
H 4.981862 2.623282 3.385676
H 4.869753 -0.523009 -2.927948
H 0.917695 -1.752156 -4.280565
H 3.290926 -1.089577 -4.836812


