%chk=000095589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095589

0 1
 O    3.323200     -0.6028000     -0.1323000    
 O   -3.328600     -0.6232000     -0.1784000    
 O    3.384000       1.620800      0.3942000    
 O   -3.417300       1.636000      0.1607000    
 N    1.338200      0.5452000      0.1180000    
 N   -1.425600      0.6327000     -0.4877000    
 C   0.5843000     -0.7249000      1.4200000E-02
 C  -0.6645000     -0.5602000     -0.8642000    
 C   0.5596000       1.757000      0.3998000    
 C  -0.6581000       1.873900     -0.5070000    
 C   0.2333000      -1.259200       1.405400    
 C    2.738000      0.6043000      0.1455000    
 C   -2.778500      0.6306000     -0.1442000    
 C    4.755100     -0.6281000     -0.1196000    
 C   -4.716100     -0.7132000      0.1652000    
 C    5.226600      -2.029400     -0.4447000    
 C   -5.153600      -2.159600      7.5000003E-02
 H    1.219100      -1.478700     -0.4645000    
 H  -0.3625000     -0.4155000      -1.909200    
 H   -1.280800      -1.463200     -0.8314000    
 H    1.187600       2.647700      0.2954000    
 H   0.2492000       1.699500       1.449600    
 H   -1.276900       2.722400     -0.1994000    
 H  -0.3475000       2.046300      -1.544200    
 H    1.138400      -1.394800       2.007400    
 H  -0.4261000     -0.5762000       1.950800    
 H  -0.2718000      -2.228100       1.331900    
 H    5.139000      7.4400000E-02 -0.8677000    
 H    5.116000     -0.3373000      0.8732000    
 H   -4.863400     -0.3450000       1.186600    
 H   -5.304300     -0.1045000     -0.5305000    
 H    6.318700      -2.085000     -0.4433000    
 H    4.834700      -2.746400      0.2844000    
 H    4.857500      -2.341700      -1.427300    
 H   -6.211200      -2.265300      0.3321000    
 H   -4.994800      -2.547700     -0.9365000    
 H   -4.560700      -2.784100      0.7516000    


%chk=000095589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095589

0 1
O 3.308562 -0.640909 -0.144013
O -3.310536 -0.656027 -0.210772
O 3.392529 1.689421 0.155915
O -3.426327 1.665641 0.154122
N 1.347998 0.529953 0.195831
N -1.405025 0.621779 -0.427701
C 0.595286 -0.755014 0.149020
C -0.628222 -0.577027 -0.792514
C 0.578761 1.753429 0.514495
C -0.636843 1.882411 -0.424920
C 0.186662 -1.227175 1.562927
C 2.722126 0.622726 0.080457
C -2.755127 0.638246 -0.140040
C 4.791475 -0.617762 -0.295878
C -4.771503 -0.722586 0.077023
C 5.233112 -2.066355 -0.480859
C -5.171633 -2.190179 -0.042547
H 1.268062 -1.502012 -0.301252
H -0.263042 -0.464050 -1.834327
H -1.282875 -1.458585 -0.739667
H 1.256324 2.614831 0.400504
H 0.232387 1.720230 1.566443
H -1.304112 2.694461 -0.094726
H -0.289174 2.100270 -1.455289
H 1.073191 -1.291609 2.217390
H -0.544632 -0.541074 2.025927
H -0.277695 -2.228411 1.509635
H 5.046810 0.015475 -1.164798
H 5.230235 -0.154170 0.605909
H -4.950942 -0.317322 1.089150
H -5.302810 -0.080340 -0.648385
H 6.331787 -2.109231 -0.594408
H 4.950528 -2.679485 0.392271
H 4.774219 -2.508781 -1.381909
H -6.253015 -2.299421 0.158453
H -4.966742 -2.573834 -1.056877
H -4.619599 -2.810814 0.684309


