%chk=000003008.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003008

0 1
 O    4.159800     -0.4927000      0.2486000    
 N   -2.747900      -1.211100      0.6898000    
 C  -0.6086000      0.7922000      0.6905000    
 C   -1.851600      0.8680000     -0.2407000    
 C   -2.311400     -0.5660000     -0.5687000    
 C   -1.049900      6.0899999E-02   1.988100    
 C  -0.1936000       2.246900       1.044400    
 C   -1.607100       1.736300      -1.491100    
 C   0.5119000     -4.3900002E-02  4.5200001E-02
 C   -1.215900      -1.311000      -1.359400    
 C   -1.707200      -1.300800       1.717100    
 C   6.2199999E-02   3.113000     -0.1901000    
 C   -1.153500       3.142800      -1.110200    
 C   0.2009000      -1.043300     -0.9046000    
 C    1.856500      0.1083000      0.4306000    
 C   -3.405300      -2.497800      0.4860000    
 C    1.228700      -1.813400      -1.475700    
 C    2.866900     -0.6691000     -0.1392000    
 C    2.554300      -1.625200      -1.096800    
 C    4.410800      0.5060000       1.236000    
 H   -2.668200       1.360800      0.3113000    
 H   -3.198000     -0.4947000      -1.213400    
 H   -1.773300      0.6861000       2.529900    
 H  -0.1979000     -7.9899997E-02   2.665700    
 H   0.6774000       2.280800       1.706500    
 H   -1.004200       2.718500       1.618200    
 H   -2.531100       1.802800      -2.078100    
 H  -0.8517000       1.294300      -2.149400    
 H   -1.282900      -1.001100      -2.411200    
 H   -1.400900      -2.390800      -1.356300    
 H  -0.9460000      -2.042700       1.447400    
 H   -2.151700      -1.648200       2.658400    
 H   0.9338000       2.741300     -0.7408000    
 H   0.3020000       4.134700      0.1260000    
 H   -1.976700       3.667600     -0.6097000    
 H  -0.9180000       3.713100      -2.015800    
 H    2.072000      0.8390000       1.199000    
 H   -2.711800      -3.284500      0.1722000    
 H   -4.200700      -2.416500     -0.2628000    
 H   -3.886300      -2.827500       1.413900    
 H   0.9942000      -2.571700      -2.219300    
 H    3.335200      -2.232700      -1.545400    
 H    3.932400      0.2590000       2.190000    
 H    4.139500       1.505300      0.8785000    
 H    5.490900      0.5161000       1.416200    


%chk=000003008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003008

0 1
O 4.238261 -0.498584 0.234247
N -2.775661 -1.235869 0.681510
C -0.643025 0.794827 0.702569
C -1.878906 0.870376 -0.250989
C -2.345881 -0.565296 -0.581330
C -1.103694 0.052014 2.001249
C -0.226907 2.249921 1.067679
C -1.600272 1.733158 -1.504944
C 0.487499 -0.025548 0.043390
C -1.239249 -1.310251 -1.387276
C -1.710813 -1.333260 1.709518
C 0.064640 3.125961 -0.172445
C -1.161890 3.164915 -1.115767
C 0.183682 -1.042858 -0.904189
C 1.839117 0.165929 0.440176
C -3.485001 -2.510211 0.479662
C 1.243182 -1.824940 -1.436487
C 2.875911 -0.625505 -0.100790
C 2.578963 -1.631454 -1.052232
C 4.599991 0.527834 1.211121
H -2.700793 1.347442 0.323173
H -3.251928 -0.507171 -1.218378
H -1.867215 0.677878 2.504451
H -0.246205 -0.060071 2.693694
H 0.636875 2.253337 1.760883
H -1.068836 2.702241 1.632313
H -2.511357 1.770619 -2.136035
H -0.801640 1.271462 -2.117554
H -1.319963 -1.009746 -2.452730
H -1.440570 -2.400182 -1.373932
H -0.903827 -2.048341 1.413229
H -2.168646 -1.735113 2.634583
H 0.936165 2.715995 -0.720069
H 0.335400 4.151668 0.146019
H -2.000404 3.680965 -0.603195
H -0.929120 3.753316 -2.024497
H 2.074893 0.940693 1.174860
H -2.835316 -3.352142 0.129410
H -4.291654 -2.372948 -0.263540
H -3.948763 -2.827360 1.432284
H 1.007207 -2.607079 -2.169382
H 3.394671 -2.234642 -1.461632
H 4.118686 0.342211 2.191893
H 4.327816 1.541009 0.854215
H 5.692576 0.454003 1.316063


