%chk=000060389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060389

0 1
 O   -1.233100     -0.3509000     -0.7050000    
 N    5.035200      0.6747000     -0.5353000    
 C   -2.275400      0.3806000     -6.8599999E-02
 C   -3.195200      0.9886000      -1.126800    
 C   -3.041200     -0.5388000      0.8813000    
 C   -4.385000       1.702100     -0.4932000    
 C   -4.231100      0.1745000       1.515200    
 C   -5.149000      0.7841000      0.4580000    
 C   4.7699999E-02  7.7399999E-02 -0.4775000    
 C   0.9811000     -0.7688000      0.1128000    
 C   0.6117000      -2.158200      0.5154000    
 C   0.4016000       1.371300     -0.8473000    
 C    2.642300      0.9795000     -3.3399999E-02
 C    2.281800     -0.3166000      0.3354000    
 C    1.702300       1.823300     -0.6248000    
 C    4.032600       1.464000      0.2037000    
 C   0.8542000      -3.169300     -0.6147000    
 C    4.410000       1.471000       1.696400    
 C   0.5094000      -4.588500     -0.1916000    
 H   -1.865000       1.200600      0.5390000    
 H   -2.636900       1.687200      -1.760200    
 H   -3.550800      0.1987000      -1.801200    
 H   -3.383400      -1.429200      0.3381000    
 H   -2.369300     -0.9078000       1.665200    
 H   -5.059400       2.063200      -1.277800    
 H   -4.031900       2.583800      5.5599999E-02
 H   -3.869000      0.9655000       2.183500    
 H   -4.797800     -0.5310000       2.133200    
 H   -5.952100       1.346600      0.9474000    
 H   -5.625700     -1.9600000E-02 -0.1167000    
 H    1.194300      -2.450200       1.399300    
 H  -0.4350000      -2.202900      0.8380000    
 H  -0.3128000       2.038700      -1.319400    
 H    3.008700     -0.9823000      0.7944000    
 H    4.126300       2.497200     -0.1531000    
 H    1.967300       2.834900     -0.9203000    
 H   0.2536000      -2.901100      -1.492300    
 H    1.904700      -3.136300     -0.9287000    
 H    3.695300       2.069200       2.272800    
 H    5.404500       1.908300       1.841600    
 H    4.423900      0.4633000       2.126900    
 H    1.120800      -4.902700      0.6603000    
 H  -0.5445000      -4.666200      9.3900003E-02
 H   0.6909000      -5.285000      -1.016000    
 H    4.789800      0.6453000      -1.524000    
 H    5.042000     -0.2886000     -0.2039000    


%chk=000060389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060389

0 1
O -1.193024 -0.499322 0.577421
N 4.979094 0.888403 -1.096325
C -2.399657 0.362489 0.525975
C -2.798548 0.675651 -0.931601
C -3.506805 -0.417481 1.252703
C -4.128590 1.469468 -0.972803
C -4.843542 0.364252 1.214984
C -5.257698 0.709721 -0.236022
C 0.081833 0.075422 0.405603
C 1.174577 -0.842639 0.485101
C 0.920924 -2.325513 0.695698
C 0.318434 1.452563 0.185837
C 2.746849 1.045210 0.118248
C 2.481165 -0.332174 0.338090
C 1.644469 1.924508 0.044771
C 4.186315 1.566512 -0.039065
C 0.507497 -3.060059 -0.610870
C 4.972147 1.481336 1.289950
C 0.242475 -4.562522 -0.378378
H -2.195153 1.305086 1.079134
H -1.995755 1.233968 -1.447143
H -2.920699 -0.287074 -1.466661
H -3.628546 -1.399086 0.753610
H -3.194514 -0.615878 2.294584
H -4.414703 1.662285 -2.024238
H -3.983370 2.461515 -0.495899
H -4.739118 1.302679 1.798507
H -5.634658 -0.230021 1.710362
H -6.186523 1.312073 -0.234828
H -5.482279 -0.228350 -0.784323
H 1.834330 -2.803815 1.101466
H 0.113270 -2.466115 1.438790
H -0.509035 2.164753 0.120568
H 3.318700 -1.040575 0.400955
H 4.121098 2.636543 -0.321749
H 1.815879 2.995007 -0.127609
H -0.401024 -2.576016 -1.016189
H 1.305562 -2.930098 -1.368529
H 4.452491 2.035422 2.090456
H 5.984195 1.901630 1.155679
H 5.071634 0.429264 1.621206
H 1.142465 -5.070806 0.017715
H -0.575123 -4.710959 0.352211
H -0.046357 -5.070522 -1.317060
H 4.502768 0.858297 -2.005364
H 5.304950 -0.045429 -0.819369


