%chk=000004595.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004595

0 1
 O   0.8253000       1.048800       1.301400    
 N   -2.661300      -1.339700     -0.4516000    
 N    2.995900      0.1029000     -0.5578000    
 N    4.717300       1.458000     -0.2637000    
 C    1.378400      -1.233100      0.7488000    
 C   0.6255000      -2.579500      0.8384000    
 C  -0.5502000      -2.691800     -0.1450000    
 C   -1.356000      -1.447400     -6.6699997E-02
 C  -0.9324000     -0.2196000      0.3941000    
 C   0.4288000     -3.1300001E-02  0.8704000    
 C    2.187700      -1.106700     -0.5393000    
 C   -2.034300      0.6775000      0.2932000    
 C   -3.103600     -5.1399998E-02 -0.2407000    
 C   -3.467600      -2.412500     -0.9961000    
 C   -2.235700       2.039500      0.5993000    
 C   -4.359900      0.5168000     -0.4814000    
 C    4.271300      0.2321000     -0.1019000    
 C    2.593200       1.309000      -1.040500    
 C   -3.487600       2.619300      0.3633000    
 C   -4.532100       1.867600     -0.1689000    
 C    3.675900       2.134600     -0.8478000    
 C    5.021400     -0.8932000      0.4927000    
 H    2.052900      -1.183300       1.614000    
 H   0.2331000      -2.683400       1.859800    
 H    1.317800      -3.415300      0.6834000    
 H   -1.145000      -3.574000      0.1155000    
 H  -0.1777000      -2.827900      -1.166500    
 H    1.538100      -1.061200      -1.422000    
 H    2.854500      -1.964300     -0.6773000    
 H   -3.991400      -2.895900     -0.1679000    
 H   -4.180100      -2.005600      -1.717400    
 H   -2.826400      -3.129200      -1.514700    
 H   -1.433400       2.642800       1.014200    
 H   -5.182600     -5.9200000E-02 -0.8915000    
 H    1.616500       1.479300      -1.472100    
 H   -3.644600       3.668600      0.5987000    
 H   -5.496700       2.337500     -0.3434000    
 H    3.759100       3.181100      -1.102400    
 H    5.995900     -0.5507000      0.8560000    
 H    4.486000      -1.325100       1.343200    
 H    5.202000      -1.678200     -0.2481000    


%chk=000004595-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004595

0 1
O 0.611858 1.198603 1.610746
N -2.686517 -1.404301 -0.479985
N 3.062628 0.190733 -0.551457
N 5.054182 1.262878 -0.402358
C 1.340755 -1.035046 0.876338
C 0.680398 -2.434681 1.003090
C -0.484487 -2.661377 -0.002520
C -1.379446 -1.453643 0.001229
C -1.022682 -0.187535 0.512818
C 0.300776 0.094662 1.061070
C 2.070088 -0.888919 -0.501189
C -2.175373 0.685365 0.353244
C -3.199318 -0.099190 -0.275850
C -3.449929 -2.496787 -1.087871
C -2.434352 2.040650 0.671009
C -4.467668 0.425425 -0.597011
C 4.429210 0.074376 -0.252134
C 2.825664 1.530357 -0.900435
C -3.701015 2.574500 0.351975
C -4.704001 1.779550 -0.273339
C 4.058854 2.170744 -0.805167
C 5.092718 -1.206248 0.159581
H 2.097937 -0.912838 1.673127
H 0.284371 -2.542921 2.030362
H 1.444432 -3.224027 0.863180
H -1.038887 -3.577236 0.280579
H -0.083538 -2.844612 -1.021470
H 1.330818 -0.725901 -1.306596
H 2.592335 -1.839536 -0.719154
H -4.319143 -2.767953 -0.460691
H -3.815882 -2.201812 -2.087895
H -2.809327 -3.384127 -1.202710
H -1.661883 2.642458 1.157652
H -5.244421 -0.180570 -1.075498
H 1.830895 1.895707 -1.141139
H -3.922371 3.620450 0.591019
H -5.677092 2.225896 -0.506279
H 4.293787 3.215870 -0.991080
H 6.154911 -0.986883 0.347490
H 4.659739 -1.631211 1.085459
H 5.038976 -1.984970 -0.626442


