%chk=000039647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039647

0 1
 O   0.5695000      -1.693800     -0.4484000    
 N    4.842500     -0.1154000      2.3200000E-02
 N    1.231700      0.5208000     -0.6322000    
 C    3.451900      0.1801000      0.3432000    
 C    2.621200      0.2560000     -0.9293000    
 C    5.640900     -0.2276000       1.245600    
 C    5.401000      0.9154000     -0.8540000    
 C    5.079400      -1.292700       2.172300    
 C    6.830100      0.5845000      -1.249400    
 C   -1.081600     -5.6800000E-02 -0.1448000    
 C   0.2833000     -0.4841000     -0.4080000    
 C   -3.472800     -0.4989000     -0.2145000    
 C   -3.717400      0.7702000      0.3620000    
 C   -2.149000     -0.8975000     -0.4617000    
 C   -1.322200       1.191300      0.4220000    
 C   -2.631000       1.603500      0.6743000    
 C   -4.559200      -1.332100     -0.5270000    
 C   -5.041300       1.168900      0.6090000    
 C   -5.868000     -0.9199000     -0.2745000    
 C   -6.108700      0.3281000      0.2923000    
 H    3.356900       1.116100      0.9102000    
 H    3.005200     -0.6112000      0.9546000    
 H    2.691100     -0.6755000      -1.502700    
 H    2.909700       1.086200      -1.578200    
 H    6.661200     -0.5480000       1.011200    
 H    5.707200      0.7279000       1.781000    
 H    4.864100      0.9626000      -1.805000    
 H    5.360200       1.912100     -0.3973000    
 H   0.9482000       1.494600     -0.6448000    
 H    4.176100     -0.9611000       2.693800    
 H    4.864100      -2.225200       1.639200    
 H    5.816400      -1.526000       2.949200    
 H    7.540400      0.7579000     -0.4353000    
 H    6.927600     -0.4510000      -1.593300    
 H    7.141900       1.232800      -2.076400    
 H   -1.959500      -1.871600     -0.9098000    
 H  -0.5209000       1.863600      0.7140000    
 H   -2.795800       2.580300       1.124500    
 H   -4.395200      -2.312000     -0.9707000    
 H   -5.252800       2.140200       1.051300    
 H   -6.699400      -1.573900     -0.5209000    
 H   -7.127900      0.6483000      0.4884000    


%chk=000039647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039647

0 1
O 0.725876 -1.423088 0.242427
N 4.891265 0.150611 0.164490
N 1.237247 0.568806 -0.833064
C 3.460064 0.480457 0.344951
C 2.665430 0.228287 -0.963484
C 5.469635 -0.654287 1.271416
C 5.716414 1.314438 -0.245704
C 4.974054 -2.113468 1.260142
C 6.969943 0.918945 -1.050467
C -1.089979 0.156018 -0.135205
C 0.347430 -0.295227 -0.214755
C -3.451250 -0.489755 0.181666
C -3.853599 0.895093 0.031445
C -2.063352 -0.823159 0.098737
C -1.493969 1.529769 -0.267959
C -2.839563 1.885809 -0.185322
C -4.459507 -1.485555 0.409383
C -5.244881 1.230050 0.115258
C -5.807897 -1.130295 0.485439
C -6.203706 0.238347 0.336916
H 3.311279 1.536438 0.673474
H 3.022164 -0.163776 1.126764
H 2.758156 -0.841884 -1.215828
H 3.093979 0.819499 -1.792944
H 6.568838 -0.652473 1.153627
H 5.257030 -0.190364 2.267990
H 5.083283 1.962930 -0.881733
H 6.016665 1.937903 0.635714
H 0.891329 1.426418 -1.262279
H 3.874405 -2.175040 1.350839
H 5.261507 -2.603601 0.313519
H 5.415462 -2.679187 2.102222
H 7.657946 0.289423 -0.458128
H 6.678746 0.348869 -1.949962
H 7.529165 1.820636 -1.363865
H -1.732187 -1.860551 0.222618
H -0.744717 2.320694 -0.393813
H -3.137179 2.937272 -0.275498
H -4.153042 -2.531958 0.523202
H -5.547599 2.278045 0.002669
H -6.570718 -1.896915 0.659463
H -7.265068 0.502925 0.398738


