%chk=000055414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055414

0 1
 O   -3.567000      0.6989000     -0.5984000    
 N    1.013800     -0.5850000      0.3319000    
 N    3.825300     -0.1728000      4.0300000E-02
 N   -8.922100     -0.2308000      0.5782000    
 C    1.950600      -1.700400      0.5163000    
 C    1.528000      0.3353000     -0.6895000    
 C    3.323300      -1.195600      0.9666000    
 C    2.887500      0.9076000     -0.2804000    
 C  -0.3086000      -1.083000     -4.5000002E-02
 C   -1.297900      7.2800003E-02 -0.1552000    
 C    5.202500      7.3700003E-02  1.6400000E-02
 C   -2.691100     -0.4176000     -0.5256000    
 C    5.716400       1.352000      0.3132000    
 C    6.117600     -0.9487000     -0.3054000    
 C    7.089200       1.597800      0.2891000    
 C    7.490500     -0.7030000     -0.3293000    
 C    7.976300      0.5702000     -3.2000002E-02
 C   -4.886800      0.4695000     -0.3080000    
 C   -5.442600     -0.7768000     -0.5719000    
 C   -5.655700       1.486400      0.2463000    
 C   -6.786000      -1.009600     -0.2776000    
 C   -6.999000       1.253500      0.5409000    
 C   -7.564200      5.4000001E-03  0.2790000    
 H    1.570900      -2.387100       1.282500    
 H    2.058000      -2.275000     -0.4137000    
 H    1.616600     -0.1691000      -1.661100    
 H   0.8873000       1.209600     -0.8265000    
 H    3.256300     -0.7668000       1.974900    
 H    4.000300      -2.055600       1.025600    
 H    3.266800       1.513800      -1.112600    
 H    2.765300       1.565000      0.5902000    
 H  -0.2701000      -1.637000     -0.9921000    
 H  -0.6694000      -1.778100      0.7235000    
 H   -1.345700      0.6337000      0.7872000    
 H   -1.023200      0.7956000     -0.9292000    
 H   -3.009300      -1.131700      0.2450000    
 H   -2.666800     -0.9196000      -1.500000    
 H    5.057100       2.174200      0.5803000    
 H    5.761400      -1.946200     -0.5534000    
 H    7.468300       2.588400      0.5231000    
 H    8.181100      -1.502100     -0.5822000    
 H    9.045200      0.7616000     -5.0600000E-02
 H   -4.879700      -1.584000      -1.030400    
 H   -5.219200       2.459700      0.4517000    
 H   -7.216900      -1.984400     -0.4917000    
 H   -7.594800       2.052500      0.9746000    
 H   -9.332800      -1.135000      0.3868000    
 H   -9.487400      0.5052000      0.9800000    


%chk=000055414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055414

0 1
O -3.657310 0.623842 0.231125
N 1.111013 -0.629118 0.253776
N 3.968363 -0.176422 -0.023541
N -9.271772 -0.093006 -0.058401
C 2.063264 -1.764976 0.198408
C 1.633383 0.485040 -0.572970
C 3.440135 -1.337093 0.729776
C 3.014562 0.947934 -0.075525
C -0.264686 -1.042458 -0.116524
C -1.320642 0.041432 0.185542
C 5.361947 0.085819 -0.036347
C -2.742473 -0.505034 0.025914
C 5.874572 1.420123 -0.045540
C 6.310749 -0.983166 -0.083119
C 7.262592 1.664951 -0.116696
C 7.693772 -0.725124 -0.143742
C 8.189329 0.600433 -0.165181
C -5.043359 0.358110 0.142026
C -5.609586 -0.906838 -0.144554
C -5.895313 1.467300 0.360849
C -7.013492 -1.054574 -0.210792
C -7.291405 1.319042 0.294310
C -7.879075 0.051277 0.006506
H 1.674397 -2.585616 0.830064
H 2.179323 -2.154049 -0.846238
H 1.718015 0.181489 -1.649022
H 0.940857 1.342395 -0.513833
H 3.339811 -1.079262 1.809010
H 4.133749 -2.187941 0.649326
H 3.390839 1.708474 -0.781305
H 2.898703 1.427685 0.924360
H -0.329743 -1.336095 -1.198300
H -0.500815 -1.949585 0.475653
H -1.177552 0.407354 1.218181
H -1.210190 0.907367 -0.492566
H -2.948978 -1.299515 0.775307
H -2.892604 -0.933778 -0.989373
H 5.196578 2.275019 0.026948
H 5.970442 -2.023281 -0.102646
H 7.619188 2.701924 -0.119603
H 8.390598 -1.570722 -0.186406
H 9.265555 0.795114 -0.215472
H -4.977997 -1.783541 -0.318325
H -5.443632 2.439567 0.582226
H -7.438845 -2.041066 -0.433426
H -7.935611 2.190111 0.466674
H -9.693307 -0.993244 -0.263076
H -9.884051 0.701101 0.098342


