%chk=000005015.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005015

0 1
 O  -0.1967000      -1.314000      -1.142100    
 N   0.7243000     -0.1607000      0.6796000    
 C   -2.763600      2.6200000E-02  4.6100002E-02
 C   -2.368500       1.531600     -0.1042000    
 C   -4.013900     -0.1318000      0.9707000    
 C   -3.062000     -0.5008000      -1.395000    
 C   -1.614700     -0.7913000      0.7163000    
 C   -2.052800       2.279000       1.186600    
 C   -5.278800      0.5882000      0.5173000    
 C   -3.498600      -1.957400      -1.509500    
 C  -0.2852000     -0.7931000     -3.3300001E-02
 C    2.072800      2.0800000E-02  0.2902000    
 C    3.013600     -0.9426000      0.6221000    
 C    2.430700       1.159800     -0.4158000    
 C    4.342900     -0.7632000      0.2393000    
 C    3.760000       1.339100     -0.7987000    
 C    2.645000      -2.175000       1.383100    
 C    1.429600       2.207500     -0.7816000    
 C    4.716000      0.3777000     -0.4712000    
 H   -3.167700       2.074700     -0.6238000    
 H   -1.496000       1.609200     -0.7625000    
 H   -3.770400      0.2166000       1.982100    
 H   -4.252800      -1.196200       1.088000    
 H   -2.194500     -0.3437000      -2.045500    
 H   -3.851300      0.1144000      -1.846000    
 H   -1.907800      -1.843700      0.8231000    
 H   -1.462000     -0.4417000       1.744400    
 H   -1.224500       1.823800       1.734300    
 H   -2.922200       2.329400       1.847500    
 H   -1.762400       3.309000      0.9528000    
 H   -5.630000      0.2234000     -0.4515000    
 H   -6.081500      0.4114000       1.241400    
 H   -5.131500       1.669400      0.4533000    
 H   -2.733400      -2.643300      -1.137300    
 H   -4.430500      -2.145700     -0.9699000    
 H   -3.676200      -2.206100      -2.561400    
 H   0.5219000      0.1569000       1.624400    
 H    5.100600      -1.502300      0.4854000    
 H    4.067800       2.221300      -1.353900    
 H    3.524300      -2.779600       1.630800    
 H    2.158000      -1.913200       2.328500    
 H    1.971100      -2.802100      0.7903000    
 H    1.911500       3.104800      -1.185200    
 H   0.7476000       1.826200      -1.547800    
 H   0.8583000       2.523600      9.6799999E-02
 H    5.750900      0.5172000     -0.7698000    


%chk=000005015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005015

0 1
O -0.096481 -1.480364 -1.390127
N 0.640251 -0.257631 0.466066
C -2.729289 0.047758 0.137619
C -2.239316 1.419833 0.709675
C -4.065685 -0.401784 0.816803
C -2.909665 0.231419 -1.405224
C -1.685684 -1.091530 0.444953
C -2.106041 1.531291 2.245396
C -5.259368 0.566262 0.666328
C -3.380067 -1.005788 -2.200305
C -0.326990 -0.968487 -0.253542
C 2.012837 -0.037886 0.090300
C 3.019726 -0.434845 1.022009
C 2.349867 0.597972 -1.140431
C 4.376367 -0.204708 0.697544
C 3.723956 0.792077 -1.432538
C 2.645278 -1.108268 2.331434
C 1.295911 1.090262 -2.109210
C 4.731957 0.396548 -0.529492
H -2.939041 2.206671 0.364203
H -1.265023 1.662507 0.240316
H -3.874736 -0.572054 1.896017
H -4.353178 -1.389866 0.406072
H -1.943763 0.570470 -1.829777
H -3.622446 1.065066 -1.567548
H -2.113717 -2.053358 0.112419
H -1.551105 -1.159410 1.542944
H -1.438547 0.758734 2.675329
H -3.083828 1.430822 2.749943
H -1.688796 2.516403 2.524202
H -5.539676 0.708898 -0.392782
H -6.146146 0.167143 1.192517
H -5.040352 1.561690 1.094235
H -2.631568 -1.815147 -2.150749
H -4.350526 -1.392200 -1.837260
H -3.508765 -0.743126 -3.266677
H 0.383015 0.004856 1.421152
H 5.154768 -0.512352 1.405544
H 3.997155 1.275009 -2.377981
H 3.546831 -1.458344 2.861226
H 2.110897 -0.422655 3.020860
H 1.986555 -1.980612 2.162631
H 1.736254 1.773786 -2.855008
H 0.824103 0.239316 -2.633071
H 0.484864 1.627480 -1.581859
H 5.786606 0.561845 -0.775753


