%chk=000005378.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005378

0 1
 O    2.666400       1.985500      9.9200003E-02
 O    3.741900      -2.487900      0.5878000    
 N    2.863900     -0.3241000      0.4231000    
 N   -1.606300      6.4999998E-02 -0.4833000    
 N   -4.449200      0.1190000     -0.2097000    
 N   -6.462600      -1.070200      0.1182000    
 N   -6.426900       1.337400      0.2143000    
 C    5.746500       1.502400      0.2389000    
 C    6.264900     -0.6558000      0.4741000    
 C    4.654000      0.7908000     -0.5823000    
 C    5.010500     -0.6949000     -0.4201000    
 C    5.989700      0.5332000       1.399200    
 C    7.076400       1.380300     -0.5293000    
 C    7.433800     -0.1090000     -0.3672000    
 C    3.272800      0.9270000      6.6000000E-03
 C    3.810600      -1.313800      0.2514000    
 C    1.578100     -0.5592000       1.051100    
 C   0.7250000      -1.556800      0.2743000    
 C   0.4450000      -1.100600      -1.161400    
 C  -0.3291000      0.2171000      -1.179200    
 C   -2.323500       1.345300     -0.4377000    
 C   -2.436100     -0.9486000      -1.145700    
 C   -3.636000       1.212000      0.3380000    
 C   -3.753300      -1.158200     -0.3945000    
 C   -5.824300      0.1290000      4.9100000E-02
 C   -7.787400      -1.023600      0.3698000    
 C   -7.752600       1.310100      0.4629000    
 C   -8.492100      0.1485000      0.5524000    
 H    5.497100       2.523000      0.5367000    
 H    6.486100      -1.595000      0.9856000    
 H    4.632100       1.103600      -1.631200    
 H    5.182800      -1.190800      -1.380800    
 H    5.121000      0.3954000       2.049600    
 H    6.853700      0.8077000       2.014400    
 H    7.851000       2.004800     -7.0100002E-02
 H    6.983800       1.669000      -1.581100    
 H    8.383100     -0.2111000      0.1708000    
 H    7.532000     -0.6158000      -1.332400    
 H    1.783500     -0.9876000       2.039900    
 H    1.053500      0.3858000       1.219500    
 H    1.229500      -2.528800      0.2275000    
 H  -0.2081000      -1.737100      0.8199000    
 H  -4.9199998E-02  -1.896700      -1.725700    
 H    1.393600     -0.9459000      -1.691000    
 H  -0.4884000      0.5161000      -2.224000    
 H   0.2625000       1.017100     -0.7241000    
 H   -1.707000       2.102900      6.1500002E-02
 H   -2.531700       1.709800      -1.452800    
 H   -2.646200     -0.6623000      -2.185100    
 H   -1.960800      -1.932700      -1.163800    
 H   -4.152000       2.177100      0.2732000    
 H   -3.433400       1.017600       1.398900    
 H   -3.566600      -1.619500      0.5837000    
 H   -4.361300      -1.856100     -0.9833000    
 H   -8.283300      -1.986900      0.4221000    
 H   -8.219800       2.280500      0.5925000    
 H   -9.555000      0.1563000      0.7529000    


%chk=000005378-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005378

0 1
O 2.429777 1.630274 -0.380767
O 4.064584 -2.573523 0.893449
N 2.965622 -0.557628 0.339497
N -1.701866 -0.155040 -0.374858
N -4.464184 -0.089550 0.414693
N -6.598599 -0.825325 -0.282222
N -6.270166 1.409496 0.685584
C 5.631898 1.662078 0.008802
C 6.432365 -0.389982 0.638694
C 4.704615 0.660713 -0.758391
C 5.254005 -0.742636 -0.331137
C 5.897835 0.894816 1.337392
C 7.033696 1.601650 -0.671125
C 7.586069 0.190852 -0.234399
C 3.251739 0.683860 -0.277669
C 4.079410 -1.435417 0.363261
C 1.656289 -0.904212 0.930369
C 0.801954 -1.819766 0.022766
C 0.400754 -1.200098 -1.335006
C -0.499586 0.053571 -1.222838
C -2.361304 1.129256 -0.022112
C -2.682519 -1.094000 -0.975326
C -3.516818 0.894783 0.970649
C -3.849667 -1.362631 -0.004204
C -5.808717 0.171253 0.268511
C -7.921142 -0.545426 -0.407783
C -7.600186 1.638012 0.537818
C -8.493528 0.685942 -0.008808
H 5.201900 2.671942 0.093000
H 6.721918 -1.228648 1.290315
H 4.725087 0.849994 -1.845496
H 5.600602 -1.374319 -1.166976
H 4.993668 0.731177 1.949956
H 6.662242 1.385600 1.964382
H 7.678384 2.416203 -0.295479
H 6.966795 1.711848 -1.768397
H 8.507654 0.292189 0.366099
H 7.820913 -0.459786 -1.095781
H 1.854904 -1.420746 1.886435
H 1.134898 0.046093 1.136036
H 1.348616 -2.767566 -0.140653
H -0.118064 -2.057136 0.589237
H -0.099924 -1.979912 -1.941593
H 1.305423 -0.911339 -1.906925
H -0.782400 0.381925 -2.256430
H 0.088269 0.878452 -0.780290
H -1.610547 1.794872 0.442390
H -2.764721 1.648779 -0.928848
H -3.091501 -0.693836 -1.938795
H -2.180223 -2.052875 -1.195308
H -4.065662 1.826380 1.173946
H -3.103106 0.499865 1.920820
H -3.458856 -1.886475 0.892087
H -4.627120 -1.983058 -0.474602
H -8.535370 -1.341868 -0.844856
H -7.952721 2.621438 0.871345
H -9.560785 0.889785 -0.117154


