%chk=000055829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055829

0 1
 O   -1.973000      -2.336400     -0.9020000    
 O    3.364900      5.3199999E-02  0.6943000    
 O    3.482200      0.3863000      -1.580300    
 N   3.7700001E-02   2.692400     -2.7400000E-02
 N   0.4354000      -3.126400     -0.1344000    
 N   -4.620800      0.3137000      0.6271000    
 C   0.2934000      0.5138000     -0.4345000    
 C  -0.6538000       1.518600     -0.2257000    
 C  -0.1537000     -0.8023000     -0.6654000    
 C    1.575600       1.125600     -0.3543000    
 C    1.385700       2.464900     -0.1033000    
 C   -2.451200     -4.1000001E-02 -0.4672000    
 C   -2.031200       1.272000     -0.2363000    
 C   -1.528600      -1.063800     -0.6789000    
 C   0.7993000      -1.934600     -0.8978000    
 C   -3.918100     -0.3294000     -0.4827000    
 C  -0.5744000       3.980800      0.2247000    
 C    2.372100       3.553900      6.9300003E-02
 C    2.864600      0.5082000     -0.5026000    
 C   0.4359000      -2.836200       1.299300    
 C    1.352900      -4.225900     -0.4328000    
 C   -4.092900     -0.1567000       1.907300    
 C   -6.057600      5.5399999E-02  0.5408000    
 C    4.647600     -0.5822000      0.6772000    
 C    5.007900      -1.003900       2.085800    
 H   -2.741700       2.079000     -9.1399997E-02
 H   0.7793000      -2.159000      -1.973100    
 H    1.829000      -1.667900     -0.6622000    
 H   -4.310700      4.6999998E-02  -1.436900    
 H   -4.119200      -1.407800     -0.4690000    
 H   -1.523800       3.842200      0.7466000    
 H   7.7000000E-02   4.585000      0.8599000    
 H  -0.7351000       4.472400     -0.7379000    
 H    2.383400       3.904900       1.106200    
 H    3.385700       3.220100     -0.1752000    
 H    2.144800       4.401200     -0.5860000    
 H   -1.260600      -2.903100      -1.235800    
 H  -0.3338000      -2.115600       1.592000    
 H    1.407700      -2.462700       1.644100    
 H   0.2099000      -3.747000       1.866900    
 H    1.049600      -5.134700      9.8700002E-02
 H    2.386800      -3.991900     -0.1534000    
 H    1.330100      -4.466800      -1.501500    
 H   -3.053500      0.1409000       2.076600    
 H   -4.161600      -1.246600       2.007200    
 H   -4.659200      0.2888000       2.734100    
 H   -6.461300      0.4363000     -0.4040000    
 H   -6.591400      0.5790000       1.341800    
 H   -6.293100      -1.012800      0.6111000    
 H    4.607700      -1.461000      2.4400000E-02
 H    5.395700      0.1211000      0.2956000    
 H    5.984900      -1.494600       2.109400    
 H    5.031000     -0.1365000       2.753700    
 H    4.256000      -1.692700       2.485200    


%chk=000055829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055829

0 1
O -1.711219 -2.471477 -0.395066
O 3.353553 -0.272655 0.439963
O 4.067118 1.766537 -0.401123
N -0.085987 2.832339 -0.032390
N 0.664510 -3.207852 0.086857
N -4.732430 0.382412 0.453914
C 0.433306 0.579835 -0.146228
C -0.638789 1.536291 -0.073208
C 0.067999 -0.795181 -0.292211
C 1.675362 1.378040 -0.129080
C 1.297686 2.752054 -0.080870
C -2.358970 -0.159324 -0.149509
C -2.003431 1.196849 -0.073794
C -1.322890 -1.137277 -0.269160
C 1.044523 -1.917454 -0.612869
C -3.814416 -0.603865 -0.171662
C -0.898477 4.047261 0.045897
C 2.147927 3.989847 -0.030813
C 3.094986 1.020174 -0.081000
C 0.869109 -3.128947 1.559792
C 1.354768 -4.377391 -0.509595
C -4.614796 0.398315 1.927218
C -6.130929 0.200780 0.019016
C 4.801105 -0.621055 0.546906
C 4.887219 -2.004750 1.186534
H -2.805899 1.939321 -0.010430
H 0.989583 -2.141441 -1.698383
H 2.078654 -1.630083 -0.364517
H -4.133030 -0.739626 -1.224972
H -3.886937 -1.613782 0.297404
H -1.483432 4.066665 0.983891
H -0.251650 4.935978 0.015366
H -1.602892 4.094802 -0.804470
H 1.939257 4.592504 0.874086
H 3.208943 3.704736 -0.039727
H 1.971410 4.635330 -0.913272
H -0.817278 -3.044176 -0.214280
H 0.344059 -2.241437 1.949087
H 1.944093 -3.045943 1.825258
H 0.446810 -4.030713 2.036557
H 1.029155 -5.300191 0.000993
H 2.461977 -4.299802 -0.422388
H 1.092111 -4.457321 -1.578718
H -3.564460 0.577579 2.213935
H -4.941443 -0.562891 2.400264
H -5.233155 1.214434 2.343483
H -6.193571 0.275929 -1.081386
H -6.760983 0.998383 0.453750
H -6.568562 -0.784269 0.323886
H 5.249147 -0.593469 -0.463254
H 5.301393 0.152186 1.156789
H 5.947707 -2.289855 1.313698
H 4.406128 -2.008937 2.180143
H 4.399531 -2.770216 0.556991


