%chk=000150543.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150543

0 1
 O   -2.473200      -3.373900     -0.2227000    
 O    1.661900       1.423000     -0.6233000    
 N  -0.8881000       1.203400     -5.5399999E-02
 N    2.941800     -0.2063000      0.4178000    
 N    6.506500      0.7315000     -0.1164000    
 N   -4.171600      -1.400600     -9.6799999E-02
 C   -1.743700      -1.043900     -0.1359000    
 C  -0.6799000     -0.1260000     -0.1190000    
 C   0.6180000     -0.6271000     -0.1702000    
 C   -3.045200     -0.5344000     -8.4299996E-02
 C   -3.266900      0.8449000     -1.8300001E-02
 C   -2.143600       1.688900     -6.0000001E-03
 C   -1.491600      -2.425200     -0.2028000    
 C    4.152300      0.5757000      0.5267000    
 C    5.304500     -8.6300001E-02 -0.2147000    
 C   0.8721000      -1.999300     -0.2366000    
 C    1.763300      0.2769000     -0.1575000    
 C  -0.1847000      -2.900500     -0.2530000    
 C   -4.564000       1.384400      3.4699999E-02
 C   -2.358000       3.063100      5.9799999E-02
 C   -4.751100       2.762000      9.9900000E-02
 C   -3.645500       3.602700      0.1124000    
 C    7.609700      0.1192000     -0.8596000    
 C    6.885600      0.9262000       1.284400    
 C   -2.908600      -3.878400       1.036700    
 H    3.978100       1.590300      0.1524000    
 H    4.336700      0.6388000       1.603300    
 H    5.471500      -1.098000      0.1795000    
 H    5.020400     -0.2024000      -1.268800    
 H    1.877000      -2.404500     -0.3138000    
 H   1.7500000E-02  -3.966300     -0.3138000    
 H    2.952000      -1.114300      0.8703000    
 H   -5.464700      0.7803000      1.9500000E-02
 H   -1.507600       3.742600      7.0799999E-02
 H   -4.076500      -2.329900     -0.4815000    
 H   -5.103900      -1.080900      0.1138000    
 H   -5.753600       3.177100      0.1387000    
 H   -3.780400       4.679200      0.1625000    
 H    7.341700     -2.6000000E-03  -1.915100    
 H    7.884400     -0.8627000     -0.4575000    
 H    8.495700      0.7634000     -0.8351000    
 H    6.946600     -1.8100001E-02   1.837600    
 H    6.202300       1.606400       1.802100    
 H    7.867200       1.411800       1.349000    
 H   -3.016800      -3.084800       1.783600    
 H   -2.193100      -4.623100       1.399500    
 H   -3.876600      -4.368000      0.8981000    


%chk=000150543-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150543

0 1
O -3.190867 -3.332999 -0.002174
O 3.014884 -2.037291 -1.223818
N -0.159772 0.542111 0.010661
N 2.373070 0.141389 -0.684361
N 5.988282 1.078035 0.075905
N -4.077325 -0.978683 0.648734
C -1.736430 -1.375147 0.021853
C -0.406936 -0.794389 -0.183704
C 0.692391 -1.648928 -0.605885
C -2.807279 -0.499476 0.440849
C -2.525835 0.905267 0.642250
C -1.175986 1.369484 0.409850
C -1.897589 -2.795686 -0.207919
C 3.706098 0.706776 -0.913482
C 4.659460 0.459114 0.285072
C 0.452261 -3.009294 -0.805117
C 2.120462 -1.195482 -0.859517
C -0.826062 -3.595027 -0.612837
C -3.517842 1.853155 1.059322
C -0.876758 2.761978 0.604179
C -3.200779 3.200084 1.241110
C -1.863188 3.657748 1.009808
C 7.062403 0.403441 0.830892
C 5.992723 2.536267 0.299196
C -3.394367 -4.769002 -0.223028
H 4.158049 0.239867 -1.806213
H 3.591745 1.789202 -1.105375
H 4.170099 0.819122 1.226601
H 4.788196 -0.633830 0.376188
H 1.306753 -3.617161 -1.122279
H -0.952081 -4.666184 -0.785935
H 1.542374 0.702459 -0.374490
H -4.552339 1.540326 1.246409
H 0.152329 3.087134 0.421525
H -4.244746 -1.977932 0.498628
H -4.827442 -0.360496 0.941736
H -3.972157 3.908628 1.560377
H -1.619975 4.716239 1.153558
H 7.081084 -0.669035 0.569934
H 6.950561 0.488595 1.942912
H 8.040618 0.839479 0.555893
H 5.769490 2.819063 1.361450
H 5.244273 3.027617 -0.346491
H 6.983384 2.950026 0.036931
H -2.762808 -5.365173 0.460842
H -3.177322 -5.039742 -1.272623
H -4.457202 -4.947352 -0.002414


