%chk=000178008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178008

0 1
 O    3.352200      2.4000000E-02  0.9731000    
 O    4.872200      -2.399300     -0.1175000    
 O    4.892500       2.326400      0.5481000    
 O  -0.2208000      -1.968600      0.3886000    
 O   -6.640000     -0.3167000     -8.7700002E-02
 N    1.158300     -6.7100003E-02  0.1649000    
 N   -1.164900      7.2200000E-02  6.1900001E-02
 N   -2.324600       1.965100     -0.2523000    
 C    2.381000     -0.8007000      0.3139000    
 C    2.978000      -1.228000      -1.017100    
 C    4.462700      -1.182900     -0.7389000    
 C    4.594300     -2.8700000E-02  0.2449000    
 C    4.791600       1.316200     -0.4424000    
 C  -4.8900001E-02 -0.7699000      0.2230000    
 C    1.232100       1.300300     -2.9100001E-02
 C   -1.122500       1.445400     -0.1338000    
 C   -2.507300     -0.2840000      6.3500002E-02
 C   0.1446000       2.061400     -0.1766000    
 C   -3.193800      0.9135000     -0.1337000    
 C   -3.180500      -1.504900      0.2135000    
 C   -4.598900      0.9133000     -0.1864000    
 C   -4.578700      -1.487700      0.1585000    
 C   -5.278500     -0.2992000     -3.8400002E-02
 H    2.218000      -1.678100      0.9516000    
 H    2.728200     -0.5132000      -1.810500    
 H    2.613300      -2.213600      -1.323100    
 H    5.060200      -1.058900      -1.646900    
 H    5.387600     -0.1974000      0.9814000    
 H    3.978700       1.576500      -1.123100    
 H    5.719700       1.318300      -1.024000    
 H    2.197100       1.778600     -5.1700000E-02
 H    5.818800      -2.315400      8.9000002E-02
 H   0.2227000       3.132500     -0.3230000    
 H    5.657100       2.114400       1.110300    
 H   -2.654900      -2.440200      0.3672000    
 H   -5.138400       1.843100     -0.3401000    
 H   -5.121700      -2.423300      0.2721000    
 H   -6.962300      0.5900000     -0.2299000    


%chk=000178008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178008

0 1
O 3.563447 -0.028951 1.076022
O 4.974589 -2.513964 -0.094794
O 4.455157 2.473236 -0.018747
O -0.032622 -1.943975 0.321197
O -6.618477 -0.411481 -0.399763
N 1.233628 0.035531 0.424157
N -1.106939 0.150196 0.181447
N -2.314890 2.114409 -0.004274
C 2.453858 -0.834009 0.574456
C 2.916113 -1.462973 -0.768883
C 4.449045 -1.314064 -0.756580
C 4.663901 -0.027702 0.081393
C 4.649729 1.246271 -0.794259
C 0.019846 -0.679104 0.312668
C 1.319251 1.435153 0.406188
C -1.083478 1.593939 0.142520
C -2.459733 -0.235304 0.046165
C 0.197210 2.222877 0.264045
C -3.182925 1.000894 -0.065673
C -3.097302 -1.490967 0.010817
C -4.587848 0.985789 -0.217045
C -4.496516 -1.494254 -0.140741
C -5.224503 -0.273393 -0.252160
H 2.204852 -1.601638 1.323487
H 2.471980 -0.922400 -1.621845
H 2.629911 -2.521965 -0.836680
H 4.871693 -1.213435 -1.778049
H 5.592164 -0.063125 0.684252
H 3.804153 1.236887 -1.502727
H 5.594698 1.288043 -1.378757
H 2.323327 1.849687 0.533705
H 5.958349 -2.446361 0.002556
H 0.268903 3.309756 0.253686
H 5.092266 2.497777 0.739503
H -2.525491 -2.416932 0.098243
H -5.142703 1.926656 -0.302120
H -5.057554 -2.432283 -0.175873
H -7.052889 0.474576 -0.468236


