%chk=000100585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100585

0 1
 O   -3.514900      -4.028900     -0.7207000    
 O   -3.387400      -3.949900       1.547300    
 O    2.884100       2.204700       1.066700    
 O    5.696400      -1.878900     -0.9159000    
 N  -0.8858000       1.511900     -0.3236000    
 N   -1.237900      -2.132400      0.1238000    
 N    1.508600      8.1799999E-02  0.2380000    
 N    5.614800       2.469900      0.9848000    
 C   -2.695200      0.2452000     -1.2400000E-02
 C   -1.306500      0.2178000     -0.1372000    
 C   -3.105800       1.610800     -0.1308000    
 C   -1.955300       2.376600     -0.3237000    
 C   -3.371900     -0.9681000      0.1884000    
 C  -0.5818000     -0.9650000     -6.9600001E-02
 C   -2.584300      -2.110000      0.2459000    
 C   0.8493000      -1.019100     -0.1953000    
 C   -4.354100       2.267000     -9.1499999E-02
 C   -1.988800       3.767100     -0.4792000    
 C   -4.855800      -1.063400      0.3355000    
 C   -4.403400       3.657100     -0.2458000    
 C   -3.237000       4.394100     -0.4365000    
 C    1.482900      -2.134800     -0.7274000    
 C    2.857400      6.1999999E-02  0.1329000    
 C    3.575800      -1.003000     -0.3832000    
 C    2.870900      -2.122600     -0.8212000    
 C   -3.185200      -3.421300      0.4508000    
 C    3.539900       1.273400      0.6123000    
 C    5.041300     -0.9485000     -0.4640000    
 C    5.028500       1.325000      0.5272000    
 C    5.701200      0.2811000      2.4000000E-02
 H   7.7200003E-02   1.794000     -0.4448000    
 H   -5.279100       1.718400      5.5000000E-02
 H   -1.080600       4.341700     -0.6279000    
 H   -5.230000      -2.074500      0.5126000    
 H   -5.184300     -0.4533000       1.183600    
 H   -5.342600     -0.6973000     -0.5746000    
 H   -5.363300       4.165800     -0.2163000    
 H   0.9337000      -3.004000      -1.075400    
 H   -3.297000       5.473000     -0.5542000    
 H    3.382000      -2.986400      -1.236300    
 H    6.785100      0.3019000     -4.4599999E-02
 H   -3.920300      -4.910000     -0.5734000    
 H    5.041400       3.218700       1.352800    
 H    6.621900       2.569000      0.9559000    


%chk=000100585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100585

0 1
O -2.416499 -4.575589 -0.177928
O -4.585999 -3.807885 -0.274041
O 2.878501 2.521502 0.059307
O 5.786170 -2.142117 -0.128157
N -0.858505 1.502050 0.023547
N -1.358956 -2.186545 -0.136286
N 1.478779 0.102393 -0.040041
N 5.556804 2.697496 0.063606
C -2.792228 0.243609 -0.027556
C -1.353587 0.212926 -0.032182
C -3.165617 1.657119 0.035747
C -1.931514 2.405112 0.066193
C -3.522531 -0.973586 -0.079512
C -0.659363 -1.027264 -0.086373
C -2.731465 -2.177989 -0.135585
C 0.814671 -1.096431 -0.089298
C -4.393524 2.365931 0.068010
C -1.902089 3.812911 0.128498
C -5.035779 -0.926203 -0.065746
C -4.370610 3.774702 0.130405
C -3.139785 4.488783 0.160548
C 1.510903 -2.340654 -0.139578
C 2.840765 0.092101 -0.040044
C 3.609789 -1.100287 -0.088132
C 2.915126 -2.336653 -0.138641
C -3.356121 -3.538094 -0.201791
C 3.513919 1.423411 0.014095
C 5.112843 -1.054540 -0.085451
C 5.026487 1.434719 0.013695
C 5.753900 0.251469 -0.033477
H 0.161235 1.663847 0.028663
H -5.350829 1.838865 0.044588
H -0.954416 4.360207 0.150977
H -5.481974 -1.927242 -0.092398
H -5.387503 -0.397020 0.840525
H -5.403460 -0.352361 -0.938235
H -5.313981 4.330303 0.155932
H 0.918068 -3.258527 -0.176869
H -3.154071 5.583239 0.209043
H 3.500217 -3.260471 -0.175794
H 6.849552 0.256402 -0.033247
H -2.928043 -5.429428 -0.230368
H 4.904755 3.484663 0.095545
H 6.560066 2.861725 0.069809


