%chk=000128414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128414

0 1
 O   -3.265400      -2.168900       1.518000    
 N  -8.7899998E-02  -1.994100     -0.3869000    
 N   -2.205300       1.859800      0.7852000    
 N   -2.812400       3.624800     -0.6955000    
 C    1.291100      -2.367000     -7.1000002E-02
 C    2.236600      -2.013100      -1.233900    
 C    2.197100     -0.5428000      -1.677200    
 C  -0.9670000      -2.274600      0.7372000    
 C    1.358800      -3.863500      0.2352000    
 C   -2.413300      -1.883800      0.4095000    
 C    2.634600      0.4286000     -0.6100000    
 C   -2.530200     -0.4095000      9.0000004E-02
 C    1.691800      0.9540000      0.2605000    
 C    3.972700      0.7805000     -0.5169000    
 C   -3.041100     -4.0000002E-03  -1.123000    
 C   -2.127900      0.5285000       1.007400    
 C    2.096600       1.852700       1.247500    
 C    4.377400       1.679100      0.4702000    
 C   -3.136500       1.357500      -1.388600    
 C    3.439400       2.215100       1.352500    
 C   -2.709000       2.240600     -0.4102000    
 H    1.629200      -1.826200      0.8211000    
 H    3.264500      -2.274200     -0.9494000    
 H    1.989700      -2.635600      -2.104600    
 H  -0.4070000      -2.500400      -1.212500    
 H    1.194800     -0.2734000      -2.033800    
 H    2.847900     -0.4248000      -2.553900    
 H  -0.9950000      -3.342100      0.9820000    
 H  -0.6237000      -1.763800       1.645600    
 H   0.8545000      -4.462700     -0.5315000    
 H    2.403200      -4.196000      0.2684000    
 H   0.9342000      -4.112000       1.212800    
 H   -2.776400      -2.483500     -0.4348000    
 H   0.6437000      0.6927000      0.1794000    
 H    4.711300      0.3670000      -1.197600    
 H   -3.367600     -0.7200000      -1.870900    
 H   -3.188600      -3.119100       1.709800    
 H   -1.729500      0.2605000       1.979800    
 H    1.365100       2.272700       1.931800    
 H    5.423000       1.961200      0.5522000    
 H   -3.534800       1.701000      -2.337800    
 H    3.754400       2.915500       2.120600    
 H   -2.504300       4.266300      2.4800001E-02
 H   -3.535200       3.932400      -1.334400    


%chk=000128414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128414

0 1
O -3.496557 -2.262777 1.324757
N -0.147938 -2.447503 -0.418754
N -2.403079 1.762910 1.148294
N -2.248306 3.719354 -0.120621
C 1.290771 -2.476830 -0.041152
C 2.155298 -2.086830 -1.263991
C 1.887434 -0.653114 -1.804927
C -1.125553 -2.549530 0.674447
C 1.754983 -3.837387 0.546251
C -2.507948 -1.958208 0.267493
C 2.292152 0.440375 -0.825242
C -2.485867 -0.454730 0.097357
C 1.330146 1.043217 0.026766
C 3.644081 0.861801 -0.720670
C -2.427943 0.157502 -1.179490
C -2.480384 0.404770 1.222235
C 1.705616 2.038237 0.958232
C 4.025369 1.855376 0.209460
C -2.353332 1.556278 -1.293969
C 3.056072 2.447113 1.054113
C -2.333273 2.336184 -0.097830
H 1.422822 -1.696964 0.734787
H 3.222750 -2.182491 -0.983643
H 1.974876 -2.820948 -2.079029
H -0.348499 -3.101336 -1.189271
H 0.809224 -0.570368 -2.031159
H 2.444472 -0.531775 -2.754729
H -1.295033 -3.601620 1.027052
H -0.744630 -1.979748 1.542300
H 1.689401 -4.637818 -0.217066
H 2.804771 -3.781438 0.890186
H 1.133706 -4.135159 1.410994
H -2.818912 -2.433538 -0.690955
H 0.282347 0.730688 -0.046914
H 4.400300 0.413008 -1.378249
H -2.441679 -0.461169 -2.084316
H -3.418375 -3.222303 1.565594
H -2.564589 -0.013160 2.231075
H 0.941673 2.488409 1.602790
H 5.073302 2.171681 0.272947
H -2.310094 2.040479 -2.275143
H 3.350327 3.219135 1.774468
H -2.246819 4.210193 0.770452
H -2.139586 4.235434 -0.987830


