%chk=000121172.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121172

0 1
 O   -1.149900      -1.754700       1.800800    
 N   -2.112500     -0.4920000      8.4399998E-02
 N    3.234000       1.236100      0.3575000    
 C   -3.838600       1.685500     -0.6984000    
 C   -4.061300      0.9184000      0.6054000    
 C   -2.371200       1.633900      -1.124300    
 C   -3.519900     -0.5052000      0.5048000    
 C   -1.859800      0.1965000      -1.181600    
 C   -1.056100      -1.109700      0.7577000    
 C   0.2900000      -1.001600      0.1814000    
 C    1.115200      6.0800001E-02  0.5414000    
 C    2.394300      0.1625000     -5.7999999E-03
 C   0.7355000      -1.963200     -0.7222000    
 C    2.843900     -0.7988000     -0.9111000    
 C    2.014400      -1.861500      -1.269300    
 C    4.673700       1.070100      0.3692000    
 C    2.668400       2.523100      0.7102000    
 H   -4.463400       1.251100      -1.488500    
 H   -4.153700       2.727700     -0.5752000    
 H   -3.552000       1.445000       1.422100    
 H   -5.129100      0.8959000      0.8484000    
 H   -2.252900       2.111600      -2.103100    
 H   -1.768500       2.206200     -0.4079000    
 H   -3.604800      -1.013700       1.470500    
 H   -4.082300      -1.087300     -0.2340000    
 H   -2.400400     -0.3598000      -1.957900    
 H  -0.8156000      0.2176000      -1.492000    
 H   0.7481000      0.7916000       1.257500    
 H   9.6600004E-02  -2.794400      -1.008500    
 H    3.829400     -0.7429000      -1.364700    
 H    2.363100      -2.608600      -1.976500    
 H    5.155200       1.844000      0.9774000    
 H    5.081500       1.146500     -0.6442000    
 H    4.963200      0.1054000      0.8012000    
 H    2.301900       2.516100       1.742000    
 H    1.846600       2.797700      3.9200000E-02
 H    3.417800       3.318800      0.6324000    


%chk=000121172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121172

0 1
O -1.099532 -0.219051 2.065233
N -2.173982 -0.320684 -0.001357
N 3.728803 1.101326 0.641809
C -4.463576 1.190543 -1.045525
C -4.339102 0.853558 0.459109
C -3.062340 1.290344 -1.691126
C -3.495345 -0.425352 0.662572
C -2.233336 0.003651 -1.445303
C -1.025043 -0.291257 0.792365
C 0.324062 -0.393029 0.117391
C 1.368835 0.399012 0.640088
C 2.699590 0.304039 0.128117
C 0.585258 -1.331691 -0.915173
C 2.944878 -0.641653 -0.920060
C 1.900318 -1.446195 -1.415524
C 5.094826 0.957075 0.127699
C 3.453590 2.035272 1.740813
H -5.045561 0.392620 -1.553066
H -5.022032 2.134886 -1.188538
H -3.855017 1.692645 0.995289
H -5.338887 0.705588 0.910571
H -3.144474 1.458519 -2.782569
H -2.517261 2.154933 -1.263417
H -3.310421 -0.614398 1.731944
H -4.031471 -1.295939 0.228892
H -2.703473 -0.843996 -1.988681
H -1.211862 0.129861 -1.833221
H 1.129837 1.063875 1.474016
H -0.210023 -1.986040 -1.286524
H 3.949326 -0.759801 -1.336226
H 2.120233 -2.179452 -2.200202
H 5.758971 1.664160 0.649455
H 5.152011 1.177504 -0.958213
H 5.494211 -0.066371 0.287587
H 3.093196 1.512508 2.650451
H 2.688319 2.786140 1.457303
H 4.377273 2.575550 2.002319


