%chk=000020135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020135

1 1
 O    2.627300       1.177900       1.397100    
 O   -1.904300      0.9495000       1.503300    
 N   0.2753000       2.213700      0.2422000    
 N    2.852100     -0.3099000     -0.4077000    
 N   -3.121000       1.056500     -0.5041000    
 C   0.7722000      0.8117000     -7.9599999E-02
 C   -1.148300       2.377600     -0.2703000    
 C   0.2997000       2.427300       1.748900    
 C    1.177600       3.238300     -0.4301000    
 C    2.186400      0.5979000      0.4104000    
 C   -2.087000       1.379600      0.3692000    
 C    4.184700     -0.7691000     -0.2807000    
 C   -4.194600      0.1629000     -0.2764000    
 C    4.446500      -1.899600      0.4788000    
 C    5.206300     -8.1100002E-02 -0.9185000    
 C   -4.763100     -0.5280000      -1.334300    
 C   -4.655900      3.9999999E-04   1.020700    
 C   -5.820500      -1.404400      -1.089600    
 C    5.759900      -2.352500      0.6035000    
 C    6.519700     -0.5340000     -0.7940000    
 C   -6.295400      -1.578300      0.2104000    
 C    3.357800      -2.652500       1.172700    
 C    4.941600       1.138600      -1.740600    
 C   -5.713100     -0.8761000       1.265500    
 C   -4.274700     -0.3614000      -2.736700    
 C    6.796400      -1.669700     -3.3000000E-02
 C   -7.425600      -2.515200      0.4727000    
 H   0.7074000      0.6883000      -1.167100    
 H   0.1321000      6.8300001E-02  0.4048000    
 H   -1.483900       3.393800     -3.3500001E-02
 H   -1.112000       2.257300      -1.359000    
 H  -0.5128000       3.107600       2.026300    
 H    1.233000       2.923300       2.034200    
 H   0.2100000       1.477500       2.283500    
 H    2.192700       3.175600     -3.1300001E-02
 H   0.7672000       4.233200     -0.2300000    
 H    1.179800       3.043700      -1.507000    
 H    2.292600     -0.8416000      -1.071100    
 H   -3.003800       1.352800      -1.469400    
 H   -4.251900      0.5543000       1.861500    
 H   -6.279800      -1.952600      -1.908800    
 H    5.993900      -3.235000       1.192900    
 H    7.339600     -1.3800000E-02  -1.282200    
 H    2.590500      -2.967200      0.4576000    
 H    3.735000      -3.558400       1.659700    
 H    2.897500      -2.030700       1.947400    
 H    5.845700       1.492700      -2.247700    
 H    4.199300      0.9269000      -2.517600    
 H    4.578600       1.954100      -1.106600    
 H   -6.080400     -0.9962000       2.281400    
 H   -4.466000      0.6571000      -3.090300    
 H   -4.779000      -1.046900      -3.426800    
 H   -3.202600     -0.5755000      -2.801200    
 H    7.819200      -2.022100      6.4400002E-02
 H   -7.397600      -3.367800     -0.2144000    
 H   -7.377100      -2.921500       1.488700    
 H   -8.380800      -1.995200      0.3495000    


%chk=000020135-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020135

1 1
O 3.171418 1.915774 -0.013399
O -1.222984 -0.479375 -0.398240
N 0.341932 1.984814 -0.747921
N 3.192749 -0.410777 -0.327145
N -3.184983 0.764703 -0.788633
C 1.282240 0.832202 -1.179380
C -1.039075 1.761112 -1.400086
C 0.207463 2.052124 0.778682
C 0.887745 3.325849 -1.263549
C 2.637182 0.841778 -0.433409
C -1.827220 0.571767 -0.795194
C 4.492452 -0.722231 0.233320
C -4.225522 -0.155454 -0.417328
C 4.528529 -1.690551 1.280104
C 5.672392 -0.121806 -0.289951
C -5.571380 0.309483 -0.542054
C -3.950528 -1.465323 0.047748
C -6.611396 -0.576697 -0.187612
C 5.786327 -2.037526 1.822875
C 6.908580 -0.493147 0.296092
C -6.366574 -1.892715 0.283841
C 3.254509 -2.327145 1.808478
C 5.645202 0.858753 -1.444038
C -5.018500 -2.317684 0.389141
C -5.890999 1.708624 -1.046649
C 6.970222 -1.436785 1.341647
C -7.511594 -2.803211 0.681272
H 1.452147 0.962308 -2.263786
H 0.709054 -0.094689 -1.002089
H -1.585827 2.715096 -1.302212
H -0.852424 1.575543 -2.473714
H -0.566247 2.796451 1.024396
H 1.178045 2.357981 1.192192
H -0.083541 1.060427 1.152160
H 1.914726 3.430907 -0.884145
H 0.242856 4.135845 -0.888397
H 0.879180 3.311328 -2.364989
H 2.597987 -1.213493 -0.558886
H -3.530346 1.673783 -1.111381
H -2.918031 -1.805456 0.136185
H -7.647848 -0.231434 -0.283273
H 5.834811 -2.774940 2.631422
H 7.830561 -0.042803 -0.087553
H 2.765556 -2.980794 1.057118
H 3.471449 -2.959929 2.683971
H 2.512872 -1.567236 2.119059
H 6.649204 0.968261 -1.885427
H 4.957038 0.530006 -2.245743
H 5.304649 1.854524 -1.105044
H -4.797564 -3.330556 0.743971
H -5.473842 2.501729 -0.392708
H -6.980310 1.869461 -1.071222
H -5.527166 1.880526 -2.080489
H 7.937689 -1.710939 1.774589
H -8.417218 -2.605392 0.082257
H -7.245434 -3.866890 0.558721
H -7.783812 -2.654080 1.744105


