%chk=000043077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043077

0 1
 O   -1.009000       3.195900      0.8002000    
 N   -4.400500      0.2562000     -1.2700000E-02
 N  -0.7447000      0.9927000      0.1258000    
 N  -8.5199997E-02 -0.2016000      0.1852000    
 C   -5.391700     -0.2650000      0.9280000    
 C   -4.470800     -0.6346000      -1.170700    
 C   -6.572900     -0.5972000      2.8200001E-02
 C   -5.967300     -0.8435000      -1.350200    
 C   -3.065000      0.3146000      0.5630000    
 C   -2.081700      0.8991000     -0.4403000    
 C  -0.3367000       2.161300      0.7666000    
 C    1.002500       2.127000       1.461400    
 C    2.079800       1.962900      0.4372000    
 C    2.145700      0.7777000     -0.3005000    
 C    1.198400     -0.3232000      1.4300000E-02
 C    1.755400      -1.704200      0.1365000    
 C    2.993200       2.988400      0.1677000    
 C    3.106400      0.6191000      -1.306000    
 C    3.957900       2.828300     -0.8279000    
 C    4.011900       1.647000      -1.565800    
 C    3.060600      -1.880300      0.5774000    
 C   0.9612000      -2.794900     -0.1926000    
 C    3.580700      -3.169800      0.6911000    
 C    1.481000      -4.084200     -7.8800000E-02
 C    2.790900      -4.271600      0.3630000    
 H   -5.662000      0.4697000       1.692900    
 H   -5.039100      -1.176600       1.427400    
 H   -3.982400      -1.598400     -0.9770000    
 H   -4.040600     -0.1961000      -2.076200    
 H   -7.274200      0.2441000     -2.0199999E-02
 H   -7.121800      -1.471500      0.3922000    
 H   -6.190500      -1.850700      -1.716600    
 H   -6.378700     -0.1253000      -2.069200    
 H   -2.728900     -0.6774000      0.8931000    
 H   -3.082000      0.9521000       1.456400    
 H   -2.409600       1.897500     -0.7541000    
 H   -1.996300      0.2860000      -1.344600    
 H    1.027900       1.319500       2.202100    
 H    1.132100       3.062300       2.018800    
 H    2.955400       3.921200      0.7242000    
 H    3.156700     -0.2873000      -1.903200    
 H    4.662700       3.628800      -1.033300    
 H    4.758400       1.528300      -2.345800    
 H    3.693400      -1.049700      0.8751000    
 H  -5.8499999E-02  -2.674500     -0.5479000    
 H    4.597800      -3.316500       1.042700    
 H   0.8670000      -4.942300     -0.3359000    
 H    3.195100      -5.275600      0.4529000    


%chk=000043077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043077

0 1
O -1.134829 3.249097 0.770543
N -4.369295 0.141681 -0.082045
N -0.686646 1.089326 0.008747
N -0.031243 -0.155076 0.063150
C -5.476035 0.001017 0.901247
C -4.469663 -1.066961 -0.942604
C -6.665298 -0.487969 0.038232
C -5.997061 -1.248469 -1.158235
C -3.044095 0.387626 0.513855
C -2.065522 0.967413 -0.533293
C -0.357405 2.252537 0.737422
C 0.972046 2.195633 1.495077
C 2.113513 2.062304 0.510334
C 2.272839 0.830992 -0.189718
C 1.295475 -0.276943 -0.014606
C 1.775966 -1.695151 0.002831
C 3.003983 3.133201 0.259956
C 3.341859 0.697564 -1.121693
C 4.054549 2.992880 -0.670863
C 4.221971 1.769529 -1.364663
C 3.073814 -2.019252 0.485121
C 0.926711 -2.750261 -0.432327
C 3.512308 -3.360948 0.524220
C 1.368051 -4.087445 -0.397482
C 2.663922 -4.400619 0.080740
H -5.669007 0.964436 1.405321
H -5.234382 -0.758119 1.689878
H -4.038576 -1.964451 -0.426894
H -3.920655 -0.929950 -1.890845
H -7.244203 0.373734 -0.334787
H -7.350263 -1.130799 0.618122
H -6.270114 -2.318053 -1.178652
H -6.310296 -0.804589 -2.118170
H -2.597873 -0.541366 0.950341
H -3.157311 1.126451 1.328454
H -2.396431 1.975452 -0.826789
H -2.012392 0.323798 -1.425462
H 0.951758 1.332468 2.189612
H 1.048015 3.121588 2.084204
H 2.869323 4.077373 0.799730
H 3.462096 -0.243292 -1.668360
H 4.739897 3.827677 -0.853602
H 5.030703 1.657269 -2.094711
H 3.734099 -1.222538 0.843716
H -0.076018 -2.497761 -0.789679
H 4.512661 -3.593996 0.905601
H 0.705302 -4.888077 -0.744556
H 3.005753 -5.441259 0.107481


