%chk=000049116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049116

0 1
 O  -0.5975000       1.394700     -0.8367000    
 O  -0.2996000       1.697800       1.439000    
 N   -4.806200     -0.7092000      0.1554000    
 N   0.6017000       3.229500     -6.1500002E-02
 N   0.7273000      -1.068100     -0.6255000    
 N    1.323000     -0.9055000      0.4648000    
 N    4.683300      -2.390400      0.2079000    
 C   -3.412400     -0.7955000     -4.1900001E-02
 C   -2.678200      0.3510000     -0.3458000    
 C   -1.318500      0.2350000     -0.5335000    
 C   -2.768300      -2.028000      6.6500001E-02
 C  -0.6557000     -0.9675000     -0.4331000    
 C   -1.389800      -2.113900     -0.1291000    
 C   -5.664100      -1.832100     -0.1670000    
 C   -5.397500      0.4986000      0.6963000    
 C  -0.1130000       2.076900      0.2832000    
 C    1.181800       4.068700      0.9772000    
 C   0.8204000       3.668400      -1.436000    
 C    2.711400      -1.006700      0.2720000    
 C    3.466800      0.1149000     -3.0800000E-02
 C    3.352700      -2.224800      0.3807000    
 C    4.838800     -1.5300000E-02 -0.2157000    
 C    5.393500      -1.278400     -8.6499996E-02
 H   -3.151800       1.322500     -0.4489000    
 H   -3.308300      -2.937600      0.3136000    
 H  -0.8967000      -3.078600     -4.0399998E-02
 H   -6.705400      -1.512100     -0.2851000    
 H   -5.370900      -2.303100      -1.112200    
 H   -5.638300      -2.581800      0.6308000    
 H   -5.499100       1.262700     -8.1600003E-02
 H   -6.397900      0.3033000       1.098700    
 H   -4.799700      0.9033000       1.520900    
 H   0.7603000       5.074600      0.8939000    
 H    2.265000       4.111100      0.8306000    
 H   0.9737000       3.677400       1.976000    
 H    1.897800       3.705700      -1.622000    
 H   0.3954000       4.669300      -1.554500    
 H   0.3604000       3.001700      -2.167500    
 H    3.002000       1.092200     -0.1246000    
 H    2.807600      -3.133400      0.6169000    
 H    5.454200      0.8447000     -0.4533000    
 H    6.459000      -1.433300     -0.2210000    


%chk=000049116-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049116

0 1
O -0.488032 1.671379 -0.241602
O -2.209211 3.318746 -0.275001
N -4.711832 -0.755266 0.505600
N 0.051016 3.844314 -0.644584
N 0.938307 -0.565797 0.027851
N 1.598817 -1.707457 0.096368
N 5.081984 -0.231617 0.187955
C -3.326897 -0.734209 0.384036
C -2.645086 0.498768 0.132766
C -1.247032 0.516078 0.015847
C -2.551827 -1.939752 0.508878
C -0.460762 -0.681378 0.143123
C -1.163950 -1.899297 0.388712
C -5.415996 -2.021787 0.760399
C -5.483995 0.492671 0.382621
C -0.995984 2.990409 -0.380079
C -0.237193 5.276819 -0.814464
C 1.459896 3.424624 -0.765588
C 3.016647 -1.553889 0.044246
C 3.777982 -2.735101 -0.161472
C 3.725112 -0.327641 0.232364
C 5.184147 -2.646513 -0.207397
C 5.793342 -1.380342 -0.040095
H -3.182238 1.440130 0.031614
H -3.043705 -2.896256 0.702429
H -0.563629 -2.809447 0.484403
H -6.498409 -1.830877 0.819641
H -5.242680 -2.756303 -0.050714
H -5.097237 -2.481649 1.716686
H -5.351677 0.956732 -0.614247
H -6.554206 0.275497 0.521396
H -5.179841 1.234940 1.145945
H 0.071701 5.615338 -1.821916
H 0.311704 5.871622 -0.059597
H -1.317425 5.443779 -0.691910
H 2.073210 3.925492 0.008182
H 1.852625 3.709516 -1.760426
H 1.538842 2.336315 -0.642833
H 3.251296 -3.686971 -0.285967
H 3.166044 0.590561 0.438392
H 5.800716 -3.536326 -0.370363
H 6.882654 -1.267155 -0.081000


