%chk=000128753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128753

0 1
 O    2.927800      4.6300001E-02 -0.8273000    
 O   -2.928700      3.7700001E-02 -0.8267000    
 O    3.102100      0.3097000       1.452800    
 O   -3.102000      0.2983000       1.453900    
 O   3.1999999E-03  -2.292300      -2.709000    
 O  -6.0000003E-04 -0.2023000      -2.023900    
 N  -5.5000000E-03   3.223400     -3.6100000E-02
 N   2.0999999E-03  -1.433800      -1.797500    
 C  -3.9999999E-04  0.4595000      0.3956000    
 C    1.200900       1.153600      0.2874000    
 C   -1.204300       1.149100      0.2877000    
 C   2.3000001E-03 -0.9744000      0.6191000    
 C    1.144600       2.521400      7.3600002E-02
 C   -1.153000       2.517200      7.4299999E-02
 C   2.9000000E-03  -1.877300     -0.4442000    
 C   3.7000000E-03  -1.443900       1.932700    
 C    2.399400       3.323500     -5.1300000E-02
 C   -2.410700       3.314500     -5.0400000E-02
 C    2.489100      0.4751000      0.3934000    
 C   -2.490000      0.4658000      0.3943000    
 C   5.1000002E-03  -3.249600     -0.1938000    
 C   5.7000001E-03  -2.816100       2.182900    
 C   6.3000000E-03  -3.718900       1.119800    
 C    4.185000     -0.6380000     -0.8539000    
 C   -4.184800     -0.6486000     -0.8532000    
 H   3.1000001E-03 -0.7554000       2.774600    
 H    2.171000       4.383500     -0.2077000    
 H    2.999900       3.247300      0.8607000    
 H    2.991700       2.984600     -0.9071000    
 H   -3.001600       2.973900     -0.9065000    
 H   -2.186400       4.375400     -0.2060000    
 H   -3.011200       3.235400      0.8615000    
 H   5.7999999E-03  -3.987300     -0.9921000    
 H   6.6999998E-03  -3.181600       3.205600    
 H   7.8999996E-03  -4.787300       1.315400    
 H    4.130800      -1.548100     -0.2493000    
 H    4.399500     -0.9151000      -1.889300    
 H    4.980400      2.0300001E-02 -0.4925000    
 H   -4.128800      -1.559400     -0.2497000    
 H   -4.399600     -0.9249000      -1.888800    
 H   -4.981100      8.1000002E-03 -0.4905000    


%chk=000128753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128753

0 1
O 2.626385 -0.452363 -0.628867
O -2.626193 -0.460244 -0.626172
O 3.523595 0.993934 0.952375
O -3.526156 0.983307 0.956015
O 0.014192 -2.416151 -2.971177
O -0.000189 -0.223887 -2.368745
N -0.005282 3.425452 0.144437
N 0.006029 -1.476956 -2.080370
C -0.001142 0.587608 0.165223
C 1.221176 1.318248 0.180207
C -1.225553 1.314705 0.181452
C 0.000808 -0.903338 0.373635
C 1.180233 2.747651 0.165730
C -1.188801 2.744199 0.167042
C 0.004201 -1.881079 -0.652270
C -0.000563 -1.367358 1.711905
C 2.423103 3.608401 0.158700
C -2.434224 3.601271 0.161475
C 2.552454 0.637960 0.240488
C -2.554723 0.630407 0.242991
C 0.005984 -3.263348 -0.372509
C 0.001105 -2.748264 2.011562
C 0.004337 -3.700116 0.967259
C 3.916707 -1.186585 -0.628617
C -3.914198 -1.198494 -0.624152
H -0.002972 -0.632711 2.524004
H 2.120254 4.659088 0.040401
H 2.992859 3.486642 1.096059
H 3.109699 3.329137 -0.661185
H -3.119531 3.321702 -0.659429
H -2.134488 4.653089 0.045360
H -3.004084 3.475782 1.098254
H 0.008676 -3.966626 -1.209262
H -0.000094 -3.075494 3.056615
H 0.005590 -4.771293 1.192524
H 4.106638 -1.623112 0.366343
H 3.791703 -1.967633 -1.391118
H 4.741195 -0.502454 -0.888775
H -4.101484 -1.635490 0.371107
H -3.787755 -1.979273 -1.386690
H -4.741192 -0.517015 -0.883326


