%chk=000177906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177906

0 1
 O    1.694100       1.259500      -2.141600    
 O    5.882900      -3.882600     -0.2769000    
 O    5.403600      -3.455100       1.822200    
 N   -5.312700      -2.187100      0.2945000    
 N   0.4892000      0.9488000     -0.1851000    
 N    5.245300      -3.244400      0.5954000    
 C   -2.303800      4.1099999E-02 -0.4018000    
 C   -1.897100       1.430600      0.1020000    
 C   -3.651400     -0.3886000      0.1840000    
 C  -0.5532000       1.909500     -0.4772000    
 C   -4.037800      -1.788500     -0.2902000    
 C  -0.1431000       3.288100     -3.5999999E-03
 C   -6.360500      -1.223800     -4.7899999E-02
 C   -5.689400      -3.528200     -0.1558000    
 C  -0.5401000       4.396900     -0.7299000    
 C   0.6198000       3.407900       1.144400    
 C   -7.665600      -1.612600      0.6195000    
 C   -4.601800      -4.523400      0.2004000    
 C    1.537100      0.7050000      -1.056900    
 C  -0.1620000       5.666800     -0.2939000    
 C   0.9978000       4.677700       1.580500    
 C    2.510900     -0.3297000     -0.6230000    
 C   0.6069000       5.807100      0.8612000    
 C    3.211500      -1.028800      -1.583900    
 C    2.682300     -0.5596000      0.7263000    
 C    4.124800      -2.001400      -1.177000    
 C    3.595600      -1.532200       1.133100    
 C    4.316900      -2.253100      0.1815000    
 H   -2.362900      5.0900001E-02  -1.496900    
 H   -1.544600     -0.6991000     -0.1247000    
 H   -2.680500       2.155700     -0.1533000    
 H   -1.839500       1.409400       1.198600    
 H   -4.365800      0.3713000     -0.1452000    
 H   -3.606800     -0.3581000       1.279900    
 H  -0.6527000       1.944200      -1.570900    
 H   -4.074800      -1.814000      -1.387300    
 H   -3.227900      -2.451800      3.0600000E-02
 H   -6.501700      -1.128100      -1.131500    
 H   -6.143800     -0.2311000      0.3541000    
 H   -6.590500      -3.875600      0.3597000    
 H   -5.886300      -3.562000      -1.234600    
 H   0.4065000      0.4357000      0.6858000    
 H   -1.140800       4.297600      -1.629300    
 H   0.9230000       2.549200       1.735400    
 H   -8.156100      -2.456700      0.1248000    
 H   -7.529500      -1.849900       1.680500    
 H   -8.369300     -0.7739000      0.5641000    
 H   -3.733500      -4.454100     -0.4623000    
 H   -4.271100      -4.417200       1.239500    
 H   -4.990600      -5.542400      8.9299999E-02
 H  -0.4670000       6.546400     -0.8535000    
 H    1.592700       4.787800       2.482400    
 H   0.9002000       6.796000       1.201500    
 H    3.069400     -0.8485000      -2.645300    
 H    2.171300      3.4000000E-03   1.500000    
 H    4.667900      -2.544600      -1.946200    
 H    3.725600      -1.696100       2.199900    


%chk=000177906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177906

0 1
O 1.237011 0.919999 -2.328423
O 6.241304 -3.756044 -0.806485
O 6.230817 -3.044302 1.360816
N -5.518859 -2.217477 0.047615
N 0.526143 0.930008 -0.109397
N 5.777705 -3.025927 0.151568
C -2.420612 0.093451 -0.454820
C -1.897582 1.352783 0.270265
C -3.714532 -0.456196 0.185252
C -0.579865 1.902626 -0.322294
C -4.256644 -1.703103 -0.546652
C -0.163115 3.284746 0.207854
C -6.709416 -1.437002 -0.389161
C -5.694504 -3.682416 -0.151796
C 0.698715 4.085710 -0.587416
C -0.573172 3.774586 1.473406
C -7.878009 -1.508272 0.612762
C -4.803609 -4.526941 0.779344
C 1.383988 0.543322 -1.120565
C 1.141726 5.344649 -0.128487
C -0.129347 5.035188 1.935721
C 2.514789 -0.381156 -0.728158
C 0.729743 5.823788 1.137771
C 3.073734 -1.191657 -1.750125
C 3.060778 -0.433478 0.582037
C 4.139096 -2.066060 -1.471698
C 4.133165 -1.296996 0.877031
C 4.650449 -2.108301 -0.155481
H -2.606233 0.337088 -1.521283
H -1.638528 -0.692735 -0.448129
H -2.661045 2.153201 0.213815
H -1.766846 1.124017 1.349457
H -4.485169 0.341125 0.193100
H -3.535454 -0.727025 1.244151
H -0.680618 1.967381 -1.421756
H -4.379314 -1.471607 -1.636653
H -3.493758 -2.501734 -0.484327
H -7.058601 -1.762297 -1.402938
H -6.401865 -0.380053 -0.491794
H -6.750929 -3.927098 0.061414
H -5.513044 -3.974526 -1.218271
H 0.667336 0.584274 0.841822
H 1.019387 3.712640 -1.567859
H -1.247969 3.184068 2.103145
H -8.251177 -2.540439 0.741646
H -7.551443 -1.140542 1.601007
H -8.725358 -0.888703 0.263583
H -3.728447 -4.337573 0.606791
H -5.025193 -4.288460 1.834112
H -4.983064 -5.605768 0.612983
H 1.802541 5.952497 -0.756502
H -0.456949 5.402580 2.914965
H 1.070659 6.801783 1.495453
H 2.659673 -1.105899 -2.759203
H 2.686507 0.226241 1.372937
H 4.579404 -2.705045 -2.241312
H 4.576699 -1.348619 1.874564


