%chk=000146784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146784

0 1
 O   9.8399997E-02  -5.380400     -6.2700003E-02
 O   -1.292200      -3.975500      -1.017500    
 N  -0.3197000      0.8261000      -1.218300    
 N   -5.168300      0.5769000      0.8191000    
 N    3.245900     -1.1100000E-02  0.8193000    
 N  -0.2221000      -4.217300     -0.4082000    
 C   -2.414100       2.047900      -1.363500    
 C   -3.054200       1.308000     -0.1841000    
 C  -0.8941000       2.129000      -1.252700    
 C   0.8889000      0.5416000     -0.5268000    
 C   -4.576700       1.276300     -0.3153000    
 C    1.189500     -0.7762000     -0.1678000    
 C    1.768000       1.582800     -0.2120000    
 C    2.395800      -1.010300      0.5138000    
 C    2.951600       1.256400      0.4712000    
 C   0.3244000      -1.841900     -0.4713000    
 C    1.491100       2.916300     -0.5606000    
 C    2.700600      -2.320200      0.8741000    
 C   0.6525000      -3.142400     -0.1000000    
 C    3.830800       2.288700      0.7874000    
 C   -6.628200      0.5643000      0.7124000    
 C   -4.756700       1.198000       2.079300    
 C    1.843200      -3.381600      0.5740000    
 C    2.386700       3.929800     -0.2327000    
 C    3.558900       3.615000      0.4427000    
 H   -2.822900       3.064300      -1.425800    
 H   -2.687100       1.537200      -2.296100    
 H   -2.670600      0.2824000     -0.1226000    
 H   -2.736800       1.835700      0.7211000    
 H  -0.6010000       2.655100      -2.168300    
 H  -0.7759000       2.689600     -0.3185000    
 H   -4.840300      0.7573000      -1.245300    
 H   -4.962500       2.301400     -0.3938000    
 H  -0.7536000      9.3900003E-02  -1.764700    
 H  -0.6161000      -1.667000     -0.9842000    
 H   0.7877000       3.330000      -1.249400    
 H    3.627900      -2.532900       1.403100    
 H    4.757300       2.067200       1.314300    
 H   -6.941600      7.9800002E-02 -0.2192000    
 H   -7.053700       1.574100      0.7364000    
 H   -7.069800     -1.6600000E-02   1.529800    
 H   -4.898900       2.284800       2.079900    
 H   -5.341100      0.7896000       2.913300    
 H   -3.717700      0.9632000       2.330500    
 H    2.141400      -4.380000      0.8837000    
 H    2.198000       4.954400     -0.5404000    
 H    4.269700       4.396700      0.6938000    


%chk=000146784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146784

0 1
O -0.053191 -5.348576 -0.259886
O -1.378308 -3.830664 -1.337594
N -0.266228 0.995218 -1.298454
N -5.159952 0.597813 1.059384
N 3.225595 -0.043459 0.975466
N -0.334205 -4.140409 -0.630720
C -2.525846 2.011738 -1.423338
C -3.086250 1.458528 -0.092844
C -1.003808 2.273503 -1.398182
C 0.906318 0.700402 -0.632651
C -4.607392 1.210555 -0.170077
C 1.158669 -0.683681 -0.259170
C 1.905622 1.683259 -0.280176
C 2.341517 -0.986268 0.542141
C 3.018447 1.252909 0.562402
C 0.291383 -1.755606 -0.616715
C 1.910043 3.043418 -0.751776
C 2.593106 -2.355870 0.920580
C 0.585676 -3.064632 -0.228018
C 3.995673 2.221613 0.976570
C -6.494338 0.003891 0.833145
C -5.160125 1.511775 2.219646
C 1.744754 -3.386838 0.548608
C 2.896413 3.948035 -0.359825
C 3.936598 3.541222 0.536394
H -3.027732 2.968584 -1.668088
H -2.767791 1.319061 -2.257988
H -2.596451 0.504348 0.180000
H -2.851541 2.177961 0.715946
H -0.712666 2.824559 -2.315876
H -0.751184 2.906127 -0.527959
H -4.806455 0.512334 -1.007055
H -5.126919 2.174748 -0.424992
H -0.817588 0.191301 -1.603584
H -0.624647 -1.626808 -1.203567
H 1.159552 3.377125 -1.469849
H 3.491888 -2.537758 1.516556
H 4.796141 1.861380 1.629492
H -6.437264 -0.742643 0.021169
H -7.278260 0.756366 0.559955
H -6.828203 -0.516019 1.748771
H -5.790066 2.425062 2.058410
H -5.551147 0.979474 3.104650
H -4.133713 1.839548 2.456305
H 1.926991 -4.427248 0.827309
H 2.882177 4.971449 -0.749369
H 4.697109 4.263570 0.852253


