%chk=000052634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052634

0 1
 O    7.452000     -0.1188000      0.3676000    
 N    4.681000      0.1070000     -0.2424000    
 N    1.035300     -0.5195000      0.2238000    
 C   -1.297100      -1.384100      0.3408000    
 C   0.1753000      -1.673700     -2.6799999E-02
 C    3.295700      0.4049000      0.1148000    
 C    2.411400     -0.8103000     -0.1486000    
 C   -1.868700     -0.2206000     -0.4602000    
 C    5.201600      -1.003400      0.5674000    
 C    5.530200       1.294300     -7.3799998E-02
 C   -2.141100      -2.669800      0.1681000    
 C    6.651600      -1.287500      0.1860000    
 C    6.972100      0.9558000     -0.4413000    
 C   -2.315100      0.9355000      0.1710000    
 C   -1.915000     -0.3846000      -1.833100    
 C   -2.835300       1.980300     -0.6295000    
 C   -3.533800      -2.530500      0.7196000    
 C   -2.266400       1.097700       1.565300    
 C   -2.426200      0.6430000      -2.620200    
 C   -2.883700       1.818400      -2.023700    
 C   -3.291300       3.156400     -1.2400000E-02
 C   -2.724200       2.273000       2.161500    
 C   -4.645200      -2.751200      2.7999999E-03
 C   -3.235800       3.300400       1.374300    
 C   -6.027300      -2.612600      0.5488000    
 H   -1.283400      -1.197200       1.414600    
 H   0.5254000      -2.523100      0.5745000    
 H   0.2540000      -1.977600      -1.077700    
 H    3.218700      0.7116000       1.166900    
 H    2.932400       1.243100     -0.4942000    
 H    2.468500      -1.082100      -1.210000    
 H    2.721100      -1.674800      0.4440000    
 H    4.666100      -1.939400      0.3923000    
 H    5.143000     -0.7614000       1.636400    
 H    5.491800       1.645200      0.9657000    
 H    5.180800       2.107500     -0.7203000    
 H   -2.166700      -2.991900     -0.8800000    
 H   -1.658500      -3.487500      0.7198000    
 H   0.9857000     -0.2609000       1.208800    
 H    6.737900      -1.632100     -0.8518000    
 H    7.060400      -2.072600      0.8303000    
 H    7.616200       1.822200     -0.2595000    
 H    7.067800      0.6878000      -1.500600    
 H   -1.566400      -1.287200      -2.324800    
 H   -3.620500      -2.246800       1.765700    
 H   -1.886200      0.3548000       2.254600    
 H   -2.469500      0.5308000      -3.699700    
 H   -3.279400       2.608500      -2.658600    
 H   -3.694900       3.972600     -0.6080000    
 H   -2.681700       2.387000       3.241000    
 H   -4.561600      -3.041800      -1.041000    
 H   -3.592000       4.215100       1.839200    
 H   -6.579000      -1.859200     -2.1800000E-02
 H   -6.558600      -3.565400      0.4646000    
 H   -6.029800      -2.312300       1.601500    


%chk=000052634-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052634

0 1
O 7.619788 0.238064 0.257879
N 4.742216 0.005782 -0.117209
N 1.049186 -0.809987 0.225213
C -1.344703 -1.537919 0.270167
C 0.115503 -1.894560 -0.121165
C 3.302748 0.201281 0.175267
C 2.460352 -1.054762 -0.126077
C -1.855764 -0.297272 -0.471119
C 5.452753 -0.772807 0.930710
C 5.454846 1.286847 -0.363534
C -2.276419 -2.776492 0.050994
C 6.907874 -1.026809 0.504539
C 6.908685 1.007367 -0.777840
C -2.289957 0.902584 0.212796
C -1.918452 -0.332596 -1.871462
C -2.762162 2.033541 -0.572149
C -3.654110 -2.606567 0.655051
C -2.284132 1.047641 1.643687
C -2.382930 0.774922 -2.639561
C -2.797474 1.943124 -2.000795
C -3.188773 3.231285 0.093357
C -2.706558 2.225644 2.264390
C -4.822603 -2.670106 -0.034206
C -3.163377 3.333259 1.484092
C -6.199774 -2.495643 0.565234
H -1.337183 -1.342179 1.360486
H 0.377819 -2.869271 0.368335
H 0.180118 -2.066513 -1.214226
H 3.137913 0.515087 1.240639
H 2.920347 1.021485 -0.458575
H 2.522935 -1.266105 -1.209972
H 2.891072 -1.945791 0.398345
H 4.943784 -1.742692 1.078789
H 5.448325 -0.228147 1.910267
H 5.456607 1.941161 0.545474
H 4.940044 1.832619 -1.176628
H -2.366328 -2.989789 -1.031565
H -1.775442 -3.655421 0.511104
H 0.938908 -0.500929 1.201126
H 6.920246 -1.649341 -0.416306
H 7.474825 -1.532759 1.303679
H 7.478116 1.944737 -0.892180
H 6.919232 0.443139 -1.735555
H -1.592338 -1.235971 -2.401410
H -3.686615 -2.412081 1.739987
H -1.946387 0.218898 2.273532
H -2.409153 0.702033 -3.732559
H -3.154808 2.803164 -2.579733
H -3.538820 4.072088 -0.518045
H -2.690500 2.303358 3.357427
H -4.781888 -2.851683 -1.120021
H -3.491926 4.252896 1.980706
H -6.726188 -1.636597 0.105170
H -6.831401 -3.388804 0.390898
H -6.146478 -2.319414 1.654251


