%chk=000003457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003457

0 1
 O    1.609200       2.913100     -0.3663000    
 O    2.893700      -3.036800      0.1014000    
 O    3.182400       1.101700       2.015500    
 N    1.469000      0.7292000      0.4699000    
 N    3.005200     -0.9581000       1.058400    
 C   0.8301000     -0.1609000     -0.4070000    
 C    1.249500      -1.438500     -0.5452000    
 C   0.6044000      -2.493100      -1.403100    
 C  -0.3397000      0.3807000      -1.200500    
 C   -1.639800      0.1865000     -0.4830000    
 C    2.445000      -1.899000      0.2208000    
 C    1.580900      -2.966600      -2.472300    
 C   0.1197000      -3.657400     -0.5471000    
 C    2.585700      0.3549000       1.235600    
 C   0.9543000       2.094400      0.5909000    
 C   -1.656200     -0.4319000      0.7639000    
 C   -2.824200      0.6269000      -1.066900    
 C   -2.867100     -0.6118000       1.432400    
 C   -4.035100      0.4471000     -0.3982000    
 C   -4.056400     -0.1722000      0.8514000    
 C   -2.890000      -1.273900       2.768800    
 C   -5.306800      0.9176000      -1.019500    
 C    1.177300       4.264300     -0.2791000    
 C    1.908600       5.083900      -1.320700    
 H  -0.2782000      -2.108000      -1.919400    
 H  -0.4011000     -0.1146000      -2.176900    
 H  -0.2071000       1.431900      -1.478100    
 H    2.380000      -3.611700      -2.098300    
 H    2.039200      -2.121300      -2.998500    
 H    1.042200      -3.557000      -3.223500    
 H  -0.4775000      -3.310500      0.3033000    
 H   0.9217000      -4.292900     -0.1622000    
 H  -0.5253000      -4.310700      -1.147100    
 H    1.212300       2.465900       1.590600    
 H  -0.1343000       2.158700      0.5196000    
 H    3.816200      -1.251700       1.595800    
 H  -0.7671000     -0.7869000       1.272700    
 H   -2.804100       1.107900      -2.041800    
 H   -5.001400     -0.3116000       1.371200    
 H   -3.893000      -1.631900       3.024600    
 H   -2.225000      -2.144200       2.781300    
 H   -2.568100     -0.5697000       3.542600    
 H   -5.749000      0.1177000      -1.621700    
 H   -6.030000       1.223200     -0.2558000    
 H   -5.134900       1.787000      -1.663200    
 H   9.7599998E-02   4.319500     -0.4578000    
 H    1.393700       4.659400      0.7198000    
 H    1.598900       6.132000      -1.281900    
 H    2.991100       5.029100      -1.164200    
 H    1.712300       4.694300      -2.325100    


%chk=000003457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003457

0 1
O 0.589963 3.085367 -0.613040
O 3.399607 -2.464715 0.449917
O 2.718346 1.836126 2.056047
N 1.141150 0.971060 0.518566
N 2.980480 -0.325350 1.224750
C 0.712059 -0.093831 -0.317862
C 1.404259 -1.300089 -0.366902
C 0.975652 -2.496798 -1.220639
C -0.529498 0.198920 -1.148377
C -1.862734 0.074589 -0.396775
C 2.637944 -1.450091 0.425769
C 1.991700 -2.768895 -2.364451
C 0.750376 -3.774835 -0.364004
C 2.309259 0.892552 1.320620
C 0.406240 2.264670 0.571575
C -2.081793 -0.941484 0.560158
C -2.917641 0.973264 -0.701946
C -3.335900 -1.076732 1.210811
C -4.179736 0.862225 -0.072739
C -4.371606 -0.171767 0.881432
C -3.551235 -2.173021 2.240970
C -5.306235 1.827509 -0.401237
C 1.937024 3.699895 -0.717972
C 1.898274 4.672453 -1.893755
H 0.002581 -2.258108 -1.687524
H -0.541641 -0.488573 -2.011080
H -0.442433 1.215823 -1.572123
H 2.973746 -3.046525 -1.946877
H 2.121978 -1.877896 -3.006289
H 1.635632 -3.601235 -2.999671
H 0.005788 -3.600185 0.435210
H 1.693311 -4.101756 0.102814
H 0.372349 -4.591409 -1.006633
H 0.765492 2.782934 1.477913
H -0.673133 2.068898 0.627866
H 3.832130 -0.412501 1.788478
H -1.269974 -1.635332 0.811564
H -2.749357 1.769833 -1.438523
H -5.346056 -0.268492 1.378032
H -4.591989 -2.186241 2.607310
H -3.328169 -3.170899 1.819321
H -2.888215 -2.036073 3.116169
H -6.209298 1.288570 -0.743779
H -5.599370 2.419426 0.486492
H -5.014446 2.535909 -1.195268
H 2.175984 4.212464 0.235680
H 2.694390 2.905797 -0.879317
H 2.884667 5.154317 -2.020930
H 1.645351 4.144844 -2.829909
H 1.143529 5.459387 -1.723739


