%chk=000149197.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149197

0 1
 O   -2.009700     -0.2042000      -1.727600    
 N    1.318200      0.5508000     -0.4365000    
 N    3.231100      -1.315200      0.2918000    
 N   -2.151300      0.1579000      0.5584000    
 N   -5.761600       1.070800      0.6254000    
 C   0.9159000     -0.8005000     -0.2502000    
 C    1.909100      -1.752500      9.8800004E-02
 C    2.628500       1.005400     -0.1212000    
 C  -0.4064000      -1.256600     -0.3783000    
 C    3.607100      3.7799999E-02  0.2264000    
 C    1.579900      -3.103200      0.2758000    
 C   0.3327000       1.520000     -0.9200000    
 C  -0.7268000      -2.606000     -0.1968000    
 C   -1.568200     -0.3981000     -0.5836000    
 C    3.018100       2.354800     -0.1202000    
 C   -3.319200       1.008400      0.5213000    
 C    4.921500      0.4203000      0.5266000    
 C   -4.598600      0.1929000      0.6361000    
 C   0.2641000      -3.528100      0.1237000    
 C    4.331500       2.728100      0.1840000    
 C    5.282300       1.763500      0.5007000    
 C   -6.995000      0.2958000      0.7738000    
 C   -5.803000       1.858100     -0.6085000    
 H    3.938100      -2.001900      0.5191000    
 H    2.346200      -3.827000      0.5418000    
 H  -0.3458000       1.842000     -0.1270000    
 H  -0.1795000       1.158200      -1.812700    
 H   0.7877000       2.434200      -1.311900    
 H   -1.754700      -2.951400     -0.2848000    
 H    2.326100       3.163800     -0.3280000    
 H   -3.228100       1.712500       1.355900    
 H   -3.261100       1.574800     -0.4123000    
 H    5.666200     -0.3266000      0.7900000    
 H   -4.647200     -0.5466000     -0.1747000    
 H   -4.569100     -0.3737000       1.576000    
 H   9.3000000E-03  -4.573800      0.2677000    
 H   -1.746400     -5.1199999E-02   1.466600    
 H    4.608500       3.778800      0.1783000    
 H    6.300100       2.058800      0.7372000    
 H   -7.864400      0.9606000      0.8266000    
 H   -7.145100     -0.4052000     -5.5500001E-02
 H   -6.981100     -0.2742000       1.709500    
 H   -5.696700       1.237900      -1.506000    
 H   -6.757800       2.392700     -0.6872000    
 H   -5.042300       2.644500     -0.6176000    


%chk=000149197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149197

0 1
O -2.476397 -1.089324 -2.115562
N 1.166415 0.400911 -0.625879
N 3.095636 -1.318508 0.403331
N -1.865846 0.262364 -0.321544
N -5.317447 1.485818 0.723682
C 0.878637 -0.999472 -0.569724
C 1.916148 -1.883088 -0.123248
C 2.211312 0.938454 0.188434
C -0.361460 -1.558406 -0.986327
C 3.204547 0.052449 0.710444
C 1.755857 -3.279827 -0.223094
C 0.654313 1.232057 -1.733951
C -0.486624 -2.971224 -1.131636
C -1.630219 -0.770516 -1.219382
C 2.320857 2.321516 0.448052
C -3.093559 1.069063 -0.357397
C 4.271290 0.562298 1.480626
C -4.129663 0.602488 0.696284
C 0.566052 -3.823954 -0.766087
C 3.403586 2.832733 1.208026
C 4.375977 1.953464 1.725526
C -6.074121 1.376937 1.988192
C -6.197448 1.312397 -0.452463
H 3.820841 -1.949908 0.742415
H 2.572073 -3.939295 0.096519
H -0.161536 1.914005 -1.428529
H 0.260388 0.575585 -2.527062
H 1.485191 1.832296 -2.149417
H -1.432385 -3.360462 -1.519253
H 1.563399 3.006591 0.053941
H -2.856915 2.133318 -0.172453
H -3.506264 0.968631 -1.375178
H 5.031176 -0.125612 1.871534
H -4.391649 -0.466255 0.493539
H -3.656414 0.639125 1.696715
H 0.463358 -4.908219 -0.875334
H -1.173309 0.439534 0.409432
H 3.477090 3.909808 1.389658
H 5.214953 2.338340 2.314469
H -6.889970 2.122340 1.996148
H -6.531326 0.367552 2.150345
H -5.408185 1.592200 2.842885
H -6.645957 0.288591 -0.514198
H -7.020904 2.047265 -0.405999
H -5.638399 1.493337 -1.385581


