%chk=000153593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153593

0 1
 O   -3.907200       1.108100      6.5300003E-02
 N   0.9252000       3.693300      0.1088000    
 N    3.195800      -2.197400     -0.2187000    
 N    5.242100      -1.037000     -0.1962000    
 N    2.458800      -7.011300      0.1774000    
 C    1.071300       1.472300     -2.0999999E-03
 C    1.816600       2.648100      4.2800002E-02
 C  -0.3113000       1.839900      3.9200000E-02
 C    3.216900       2.661400      1.9800000E-02
 C    3.893800       1.431600     -5.1899999E-02
 C  -0.3698000       3.231900      0.1082000    
 C    3.165100      0.2268000     -9.8600000E-02
 C    1.756900      0.2417000     -7.4000001E-02
 C    3.892400     -0.9627000     -0.1695000    
 C   -1.520900       1.114000      2.4100000E-02
 C    3.957400       3.961700      6.9700003E-02
 C   -1.577300       3.937300      0.1630000    
 C    5.291800       1.376300     -7.8500003E-02
 C   -2.736500       1.805300      7.8400001E-02
 C   -2.761800       3.196100      0.1468000    
 C    3.808000      -3.439400      0.1211000    
 C    5.906800      0.1358000     -0.1498000    
 C    2.816800      -4.593300     -1.4400000E-02
 C    3.440300      -5.944500      0.3404000    
 C   -3.814100     -0.3132000     -5.7000001E-03
 C   -5.197300     -0.8934000     -4.1400000E-02
 C   -5.837500      -1.220900       1.148700    
 C   -5.826500      -1.099100      -1.264100    
 C   -7.123300      -1.760900       1.115600    
 C   -7.112300      -1.638900      -1.297300    
 C   -7.760500      -1.969800     -0.1073000    
 H    1.165600     -0.6683000     -9.8399997E-02
 H    1.175600       4.670800      0.1524000    
 H   -1.436300      3.5500001E-02 -2.7300000E-02
 H    4.601400       4.000500      0.9550000    
 H    4.569700       4.087200     -0.8298000    
 H    3.295500       4.830200      0.1236000    
 H   -1.597800       5.020700      0.2163000    
 H    5.918700       2.261200     -4.5699999E-02
 H   -3.713800       3.720200      0.1887000    
 H    2.357900      -2.218000     -0.7897000    
 H    4.666000      -3.631400     -0.5347000    
 H    4.181000      -3.403100       1.151900    
 H    6.988600      5.4099999E-02 -0.1722000    
 H    2.434600      -4.623800      -1.043600    
 H    1.950100      -4.403200      0.6328000    
 H    3.800000      -5.934700       1.375100    
 H    4.297900      -6.145100     -0.3105000    
 H   -3.288600     -0.7138000      0.8714000    
 H   -3.287200     -0.6268000     -0.9169000    
 H    1.668300      -6.848400      0.7999000    
 H    2.871900      -7.897100      0.4662000    
 H   -5.351700      -1.060200       2.107200    
 H   -5.332300     -0.8429000      -2.197200    
 H   -7.628500      -2.017900       2.042100    
 H   -7.609000      -1.801000      -2.249400    
 H   -8.761800      -2.389800     -0.1331000    


%chk=000153593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153593

0 1
O -4.020099 1.138200 -0.016707
N 0.935471 3.753675 -0.113632
N 3.302108 -2.271391 -0.001090
N 5.308075 -1.086419 0.023414
N 2.841630 -7.143108 0.775893
C 1.086805 1.453226 -0.044746
C 1.849634 2.685847 -0.083039
C -0.325564 1.821925 -0.050286
C 3.251769 2.714430 -0.078901
C 3.932520 1.447938 -0.041614
C -0.381163 3.252603 -0.094445
C 3.182468 0.199408 -0.017650
C 1.758894 0.225914 -0.009990
C 3.951864 -1.049128 -0.000629
C -1.521299 1.063873 -0.022894
C 4.027474 4.018243 -0.106744
C -1.612075 3.941666 -0.111293
C 5.369535 1.364290 -0.016331
C -2.753071 1.757421 -0.042148
C -2.795865 3.180688 -0.085032
C 4.018653 -3.555874 -0.006906
C 5.983160 0.115188 0.026416
C 3.077835 -4.700147 0.415953
C 3.768903 -6.076988 0.344280
C -4.048262 -0.328601 -0.003311
C -5.490910 -0.795609 -0.053405
C -5.820480 -2.080571 0.445112
C -6.507571 0.005574 -0.626844
C -7.144400 -2.565819 0.359661
C -7.833808 -0.476684 -0.704575
C -8.156770 -1.764025 -0.216696
H 1.171021 -0.698101 0.034853
H 1.182898 4.738940 -0.139588
H -1.478220 -0.028179 0.015503
H 4.651310 4.137134 0.799371
H 4.707753 4.064722 -0.977777
H 3.365819 4.899877 -0.164278
H -1.660535 5.035109 -0.143612
H 5.983024 2.268319 -0.026161
H -3.777027 3.664758 -0.094755
H 2.295534 -2.299313 -0.151533
H 4.443206 -3.758093 -1.014007
H 4.880642 -3.468747 0.677345
H 7.075538 0.028656 0.055638
H 2.181235 -4.736270 -0.235458
H 2.721879 -4.515441 1.450405
H 4.717665 -6.032665 0.934281
H 4.056854 -6.280503 -0.705081
H -3.548142 -0.710619 0.911448
H -3.486795 -0.708365 -0.885747
H 2.538482 -7.054516 1.751562
H 3.160889 -8.093102 0.563188
H -5.043158 -2.704710 0.904748
H -6.252965 1.004679 -0.992209
H -7.386374 -3.561236 0.748686
H -8.615052 0.152921 -1.145456
H -9.185442 -2.136298 -0.279287


