%chk=000042656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042656

0 1
 O   -1.304900      -1.664500      -1.311600    
 N    3.827400      -1.420200      0.1953000    
 N  -0.6576000      0.4451000     -0.6005000    
 C    1.651300     -0.2479000     -9.3099996E-02
 C    1.996000      0.7216000       1.059400    
 C   0.6922000      0.3895000      -1.122700    
 C    2.461900       2.094100      0.5470000    
 C    3.034900      8.1400000E-02   1.990600    
 C    2.930300     -0.7788000     -0.7769000    
 C    1.141900       1.780400      -1.581000    
 C    1.448100       2.711100     -0.4106000    
 C    4.244300     -0.4766000       1.238800    
 C    4.995800      -1.984800     -0.4800000    
 C   -1.549800     -0.6034000     -0.7437000    
 C   -2.904300     -0.3801000     -0.1756000    
 C   -3.641500      -1.470600      0.2369000    
 C   -3.381400      0.9106000     -7.8199998E-02
 C   -4.913000      -1.261100      0.7705000    
 C   -4.652900       1.120000      0.4555000    
 C   -5.418700      3.4100000E-02  0.8799000    
 H    1.147000      -1.119600      0.3507000    
 H    1.085300      0.8896000       1.650800    
 H   0.6557000     -0.2547000      -2.010800    
 H    3.429000       2.015100      3.7799999E-02
 H    2.611900       2.772600       1.395600    
 H    2.554400     -0.7375000       2.542700    
 H    3.370100      0.8062000       2.741900    
 H    2.632200      -1.519400      -1.530200    
 H    3.453200      2.5100000E-02  -1.309600    
 H   0.3718000       2.238300      -2.214100    
 H    2.040400       1.686600      -2.202900    
 H   0.5270000       2.952000      0.1329000    
 H    1.840600       3.660000     -0.7942000    
 H    4.838100      0.3432000      0.8153000    
 H    4.884700     -0.9913000       1.965800    
 H  -0.8983000       1.243200     -2.2800000E-02
 H    5.592800      -1.217400     -0.9859000    
 H    4.688700      -2.728800      -1.223500    
 H    5.639900      -2.506400      0.2366000    
 H   -3.259700      -2.484500      0.1632000    
 H   -2.831100       1.778100     -0.4278000    
 H   -5.509100      -2.106400       1.101900    
 H   -5.050400       2.127800      0.5338000    
 H   -6.409400      0.1972000       1.294100    


%chk=000042656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042656

0 1
O -1.187432 -1.693271 -1.141565
N 3.868396 -1.413832 0.187411
N -0.656511 0.501031 -0.597555
C 1.694351 -0.225016 -0.105652
C 2.042274 0.755845 1.052877
C 0.717551 0.411380 -1.142824
C 2.518724 2.137651 0.529807
C 3.070794 0.088579 2.001543
C 2.966977 -0.768736 -0.795954
C 1.180625 1.811348 -1.615018
C 1.486255 2.766289 -0.434479
C 4.294536 -0.467021 1.244106
C 5.010165 -2.084167 -0.460910
C -1.534839 -0.566358 -0.658158
C -2.926323 -0.329545 -0.121076
C -3.694558 -1.470335 0.224498
C -3.503157 0.960510 0.018433
C -5.005834 -1.326208 0.722923
C -4.818465 1.104761 0.512835
C -5.571022 -0.037315 0.872285
H 1.183266 -1.106481 0.326991
H 1.110692 0.933106 1.633910
H 0.649082 -0.274808 -2.008865
H 3.487214 2.036669 0.001245
H 2.697995 2.811816 1.390621
H 2.584746 -0.754165 2.529393
H 3.409649 0.815060 2.767082
H 2.669436 -1.529873 -1.542465
H 3.499198 0.048921 -1.352400
H 0.413001 2.243820 -2.285431
H 2.100140 1.690319 -2.219240
H 0.555799 3.002951 0.126381
H 1.859530 3.732427 -0.824879
H 4.901578 0.375736 0.816427
H 4.952690 -1.008739 1.949584
H -0.929533 1.353974 -0.108485
H 5.686421 -1.379132 -1.011027
H 4.640770 -2.834023 -1.183315
H 5.614503 -2.610900 0.299656
H -3.240792 -2.456564 0.081956
H -2.954247 1.858070 -0.292770
H -5.588363 -2.214373 0.991396
H -5.259174 2.103523 0.606580
H -6.591309 0.075973 1.255428


