%chk=000030226.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030226

0 1
 O  -0.4494000       2.562900       1.233100    
 N    3.414300      0.2952000      0.1549000    
 N  -0.3156000      0.3210000      0.5400000    
 C    2.023400      0.4714000     -0.2426000    
 C    1.095300      0.1222000      0.9115000    
 C   -1.034300     -0.8358000      3.4100000E-02
 C    4.314700      0.6659000     -0.9388000    
 C    3.662000      -1.087200      0.5688000    
 C   -1.622100      -1.676000      0.9412000    
 C   -1.084300      -1.020700      -1.321400    
 C  -0.9628000       1.556100      0.7444000    
 C    4.075400       2.098200      -1.385300    
 C    5.091900      -1.268600       1.049200    
 C   -2.313000      -2.786100      0.4553000    
 C   -1.775300      -2.130700      -1.807100    
 C   -1.557700      -1.459500       2.418500    
 C  -0.4375000     -9.2799999E-02  -2.298100    
 C   -2.389500      -3.013500     -0.9189000    
 C   -2.397800       1.605900      0.3340000    
 C   -2.951800       2.767600     -3.8899999E-02
 C   -4.385800       2.904500     -0.4338000    
 H    1.819600     -0.1638000      -1.106000    
 H    1.805500       1.506900     -0.5219000    
 H    1.312100      0.7606000       1.776700    
 H    1.179400     -0.9176000       1.234200    
 H    5.357600      0.6301000     -0.6076000    
 H    4.215700     -8.8999998E-03  -1.798500    
 H    3.056800      -1.360700       1.436300    
 H    3.442500      -1.804400     -0.2320000    
 H    3.169000       2.203200      -1.989600    
 H    4.022000       2.787400     -0.5354000    
 H    4.907900       2.427400      -2.017800    
 H    5.811300      -1.285900      0.2248000    
 H    5.383900     -0.4889000       1.761000    
 H    5.187200      -2.231600       1.564000    
 H   -2.796700      -3.484800       1.132800    
 H   -1.841100      -2.319600      -2.875400    
 H   -1.923500     -0.4636000       2.687200    
 H   -2.181600      -2.180100       2.959000    
 H  -0.5332000      -1.580800       2.783100    
 H   -1.128300      9.8999999E-02  -3.128600    
 H  -0.1928000      0.8913000      -1.894100    
 H   0.4620000     -0.5502000      -2.720900    
 H   -2.926900      -3.878100      -1.297300    
 H   -3.007500      0.7120000      0.3663000    
 H   -2.358500       3.677500     -6.9799997E-02
 H   -4.455000       3.281000      -1.458900    
 H   -4.924200       1.952800     -0.3832000    
 H   -4.888000       3.616000      0.2287000    


%chk=000030226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030226

0 1
O 0.055793 2.510728 0.046065
N 3.487767 0.016459 -0.111700
N -0.325095 0.219625 0.192009
C 2.087446 0.081432 -0.596101
C 1.096384 0.036799 0.597993
C -1.169131 -0.952670 0.062461
C 4.243439 1.280730 -0.308677
C 4.224463 -1.204977 -0.524791
C -1.609274 -1.616155 1.247823
C -1.528287 -1.435023 -1.232396
C -0.765096 1.533209 -0.026329
C 3.686392 2.452385 0.523485
C 5.388285 -1.564425 0.420695
C -2.402202 -2.782411 1.116668
C -2.324251 -2.604542 -1.318175
C -1.257711 -1.081128 2.624057
C -1.098078 -0.716257 -2.498132
C -2.756161 -3.278806 -0.156175
C -2.219496 1.727326 -0.302053
C -2.716371 2.970097 -0.551128
C -4.163418 3.293110 -0.814842
H 1.875317 -0.764006 -1.282094
H 1.905797 1.018202 -1.158719
H 1.369346 0.845264 1.296641
H 1.192842 -0.932213 1.116259
H 5.292220 1.099146 -0.010919
H 4.262499 1.571908 -1.391127
H 3.502650 -2.043359 -0.519588
H 4.610497 -1.123085 -1.574140
H 2.632982 2.674833 0.274999
H 3.743279 2.216043 1.601451
H 4.280591 3.366356 0.334532
H 6.180302 -0.794411 0.416752
H 5.016521 -1.666589 1.455406
H 5.851658 -2.520175 0.111804
H -2.749873 -3.295010 2.021372
H -2.602255 -2.986334 -2.307646
H -1.301467 0.021753 2.651509
H -1.946721 -1.479713 3.388044
H -0.230620 -1.365939 2.923879
H -1.261130 -1.353238 -3.384170
H -1.672233 0.218653 -2.644377
H -0.033612 -0.426919 -2.465056
H -3.369509 -4.182694 -0.242162
H -2.880507 0.853232 -0.275069
H -1.996295 3.802377 -0.553468
H -4.283574 3.781047 -1.802189
H -4.801929 2.393134 -0.790900
H -4.546871 4.012434 -0.064578


