%chk=000060528.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060528

0 1
 O    2.715500      0.5201000      0.3291000    
 N   -5.027600      0.6106000      0.6645000    
 C   -5.066000      -1.671900     -0.5795000    
 C   -3.640000      0.1855000      0.3373000    
 C   -3.637600      -1.107500     -0.5085000    
 C   -5.932500     -0.6333000      -1.306500    
 C   -5.600300      -1.813100      0.8540000    
 C   -5.847600      0.7098000     -0.5645000    
 C   -5.632200     -0.4315000       1.529000    
 C   -2.833000       1.301800     -0.3292000    
 C   -1.355100       1.093400     -0.1539000    
 C  -0.7128000       1.634400      0.9524000    
 C  -0.6486000      0.3621000      -1.100400    
 C   0.6590000       1.441200       1.115100    
 C   0.7232000      0.1687000     -0.9377000    
 C    1.377100      0.7082000      0.1701000    
 C    3.388500     -0.2391000     -0.6742000    
 C    4.838000     -0.3610000     -0.3065000    
 C    5.742600      0.5995000     -0.7453000    
 C    5.263700      -1.432800      0.4703000    
 C    7.090200      0.4865000     -0.4033000    
 C    6.611200      -1.545600      0.8124000    
 C    7.524400     -0.5860000      0.3756000    
 H   -5.082500      -2.633100      -1.103100    
 H   -3.149300     -3.9700001E-02   1.295900    
 H   -2.968600      -1.846800     -5.1399998E-02
 H   -3.281800     -0.9332000      -1.530000    
 H   -6.973600     -0.9750000      -1.346500    
 H   -5.589600     -0.5108000      -2.340700    
 H   -4.960100      -2.495400       1.425900    
 H   -6.608300      -2.244100      0.8411000    
 H   -5.444400       1.482700      -1.229300    
 H   -6.856900       1.055000     -0.3066000    
 H   -6.665900     -0.1561000       1.774300    
 H   -5.106600     -0.4720000       2.491200    
 H   -3.096100       2.271600      0.1159000    
 H   -3.076700       1.399700      -1.395000    
 H   -1.262300       2.204800       1.696000    
 H   -1.141800     -5.4200001E-02  -1.973700    
 H    1.162800       1.863400       1.980300    
 H    1.216200     -0.4065000      -1.713600    
 H    3.314200      0.2558000      -1.651700    
 H    2.966100      -1.250100     -0.7494000    
 H    5.415300       1.440600      -1.350300    
 H    4.561000      -2.184900      0.8183000    
 H    7.801200       1.234000     -0.7428000    
 H    6.949400      -2.380200       1.419400    
 H    8.573600     -0.6736000      0.6423000    


%chk=000060528-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060528

0 1
O 2.747254 0.274067 0.248837
N -5.197933 0.877810 0.296892
C -5.170080 -1.709481 0.008732
C -3.773672 0.387990 0.298002
C -3.722210 -1.146254 -0.039532
C -5.990634 -1.060729 -1.139941
C -5.823730 -1.335671 1.368566
C -5.894900 0.500825 -0.973987
C -5.917279 0.232937 1.441754
C -2.880302 1.261295 -0.623124
C -1.394614 0.987501 -0.437195
C -0.729201 1.395858 0.752799
C -0.629331 0.317750 -1.419401
C 0.639641 1.145586 0.951747
C 0.749898 0.053997 -1.240976
C 1.385943 0.472243 -0.047595
C 3.573579 -0.373436 -0.778216
C 5.012294 -0.415377 -0.297348
C 5.500950 0.512406 0.653677
C 5.897600 -1.377684 -0.843978
C 6.858264 0.480240 1.046305
C 7.255970 -1.404691 -0.457221
C 7.741437 -0.473827 0.490402
H -5.150430 -2.808140 -0.113508
H -3.418486 0.542034 1.336695
H -3.069544 -1.683254 0.673505
H -3.296528 -1.311060 -1.049535
H -7.042441 -1.402990 -1.090880
H -5.586340 -1.381345 -2.119323
H -5.211339 -1.737259 2.198984
H -6.826421 -1.797299 1.448507
H -5.351384 0.960370 -1.817589
H -6.899662 0.960698 -0.950137
H -6.969772 0.569279 1.403895
H -5.481042 0.615788 2.382467
H -3.112951 2.318496 -0.391348
H -3.158666 1.090079 -1.681061
H -1.292551 1.928988 1.528932
H -1.113460 -0.002529 -2.350324
H 1.152949 1.464807 1.864208
H 1.302246 -0.467495 -2.028321
H 3.496233 0.209074 -1.722473
H 3.199284 -1.399407 -0.975994
H 4.810064 1.240735 1.087943
H 5.526767 -2.110959 -1.571927
H 7.225828 1.199670 1.786901
H 7.930397 -2.153721 -0.887286
H 8.793704 -0.496014 0.795269


