%chk=000173409.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173409

0 1
 O    6.116000      -1.073000     -0.1082000    
 O   -4.777600      -2.204100     -0.3537000    
 N   0.5415000       2.105500      0.2433000    
 N  -0.2652000      9.1300003E-02 -1.5600000E-02
 N  -0.7855000       2.302800      0.2508000    
 C    2.193300      0.2912000      4.1600000E-02
 C    2.507600     -0.9941000      0.4909000    
 C   0.8425000      0.7887000      8.4799998E-02
 C    3.204700       1.115100     -0.4588000    
 C    3.824100      -1.452300      0.4400000    
 C   -1.227400       1.053800      9.1200002E-02
 C   -2.624900      0.7292000      3.3000000E-02
 C    4.831000     -0.6267000     -6.0300000E-02
 C    4.521200      0.6570000     -0.5098000    
 C    1.455000      -1.907900       1.032000    
 C   -3.027000     -0.5960000     -0.1347000    
 C   -3.580600       1.739100      0.1449000    
 C   -4.384700     -0.9111000     -0.1907000    
 C   -4.938200       1.424000      8.8900000E-02
 C   -5.340300      9.8899998E-02 -7.8699999E-02
 C    7.095700     -0.1764000     -0.6296000    
 C   -6.181300      -2.455000     -0.4015000    
 H    2.996700       2.116400     -0.8286000    
 H    4.077600      -2.451400      0.7861000    
 H    5.253400       1.348700     -0.9123000    
 H    1.898700      -2.804200       1.481200    
 H   0.7888000      -2.249800      0.2335000    
 H   0.8775000      -1.424300       1.826800    
 H    1.155100       2.903600      0.3591000    
 H   -2.301400      -1.401400     -0.2239000    
 H   -3.305200       2.782500      0.2765000    
 H   -5.681900       2.211000      0.1762000    
 H   -6.410300     -7.5099997E-02 -0.1135000    
 H    7.191000      0.7210000     -8.8999998E-03
 H    8.059800     -0.6942000     -0.5928000    
 H    6.902200      6.4300001E-02  -1.680400    
 H   -6.312400      -3.533800     -0.5351000    
 H   -6.670200      -2.188000      0.5416000    
 H   -6.648100      -1.967200      -1.263900    


%chk=000173409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173409

0 1
O 6.227969 -1.103360 -0.088112
O -4.854238 -2.219686 -0.247037
N 0.545761 2.167904 0.193441
N -0.316955 0.126242 0.008009
N -0.828255 2.383346 0.189795
C 2.230542 0.302292 0.031211
C 2.564270 -1.040173 0.421189
C 0.854785 0.814875 0.082206
C 3.266418 1.166278 -0.416224
C 3.914818 -1.439106 0.358429
C -1.312605 1.104291 0.072261
C -2.751131 0.799961 0.023162
C 4.937031 -0.561663 -0.079056
C 4.612935 0.758984 -0.474847
C 1.525126 -2.034588 0.901145
C -3.171553 -0.544105 -0.089574
C -3.717082 1.843637 0.089553
C -4.551554 -0.851407 -0.134314
C -5.085604 1.523246 0.043334
C -5.521170 0.180008 -0.068291
C 7.323891 -0.241594 -0.541407
C -6.267534 -2.594915 -0.305117
H 3.018075 2.175133 -0.767868
H 4.201290 -2.453475 0.653682
H 5.375620 1.454393 -0.835945
H 2.007980 -2.960610 1.256487
H 0.814021 -2.284185 0.095154
H 0.908810 -1.617002 1.716877
H 1.168730 2.961813 0.322313
H -2.432783 -1.348309 -0.143002
H -3.381252 2.880971 0.176237
H -5.832617 2.323386 0.094291
H -6.591908 -0.041935 -0.102090
H 7.427986 0.650395 0.106262
H 8.227547 -0.863396 -0.464375
H 7.176944 0.075087 -1.592132
H -6.269998 -3.691360 -0.393921
H -6.804350 -2.294618 0.616308
H -6.768760 -2.148656 -1.186635


