%chk=000020990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020990

0 1
 O   -3.872900     -0.9605000      0.1548000    
 O   -3.277200       1.205800     -0.2723000    
 O    4.753300       1.175100      0.5617000    
 N   -1.689300     -0.4645000      0.1388000    
 N    3.139600     -0.4920000      0.3371000    
 N    5.427700     -0.9254000     -0.1395000    
 C   -5.248200     -0.5983000      2.5000000E-02
 C   -5.474700     -4.5299999E-02  -1.381300    
 C   -6.079200      -1.860300      0.2465000    
 C   -5.576100      0.4538000       1.083500    
 C   -2.961700      4.9600001E-02 -1.9300001E-02
 C  -0.4562000      0.2201000      4.5600001E-02
 C    1.941800      0.1974000      0.1459000    
 C   0.7250000     -0.4785000      0.2382000    
 C  -0.4525000       1.576800     -0.2371000    
 C    1.961300       1.563000     -0.1379000    
 C   0.7641000       2.252700     -0.3295000    
 C    4.456300      1.1200000E-02  0.2841000    
 C    6.835800     -0.5742000     -0.2740000    
 C    5.083200      -2.306500     -0.4703000    
 H   -4.975000     -0.6670000      -2.133300    
 H   -6.545500     -3.0300001E-02  -1.617500    
 H   -5.129200      0.9809000      -1.529100    
 H   -5.881500      -2.286600       1.236800    
 H   -5.812000      -2.634000     -0.4824000    
 H   -7.152700      -1.662000      0.1631000    
 H   -5.210900       1.458500      0.8566000    
 H   -6.662000      0.5540000       1.198800    
 H   -5.160300      0.1721000       2.057900    
 H   -1.629900      -1.458100      0.3482000    
 H   0.7063000      -1.543100      0.4593000    
 H   -1.336100       2.176800     -0.3991000    
 H    2.872700       2.137400     -0.2477000    
 H    3.035300      -1.491600      0.4858000    
 H   0.7799000       3.314900     -0.5564000    
 H    7.426600      -1.235000      0.3668000    
 H    7.015000      0.4630000      1.9600000E-02
 H    7.134000     -0.7056000      -1.318100    
 H    4.192200      -2.335000      -1.104000    
 H    4.892000      -2.850000      0.4595000    
 H    5.906700      -2.785300      -1.008500    


%chk=000020990-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020990

0 1
O -3.819691 -0.830108 0.022091
O -3.316609 1.488537 -0.109023
O 4.897509 1.173831 -0.229634
N -1.664599 -0.209238 -0.044168
N 3.165785 -0.425827 -0.111590
N 5.425846 -1.105655 -0.113760
C -5.330034 -0.638236 0.032841
C -5.770250 0.037432 -1.281517
C -5.831429 -2.090451 0.116043
C -5.734641 0.172606 1.280426
C -2.964070 0.283229 -0.050269
C -0.446112 0.522738 -0.102146
C 2.018203 0.414993 -0.136666
C 0.754803 -0.228861 -0.082176
C -0.394123 1.938913 -0.177543
C 2.079462 1.832199 -0.212223
C 0.871341 2.559685 -0.230703
C 4.517430 -0.036463 -0.156718
C 6.864183 -0.797767 -0.157608
C 5.018810 -2.515064 -0.028323
H -5.417428 -0.543964 -2.151882
H -6.874192 0.080347 -1.320040
H -5.374897 1.062871 -1.350445
H -5.463661 -2.576758 1.036092
H -5.479863 -2.673157 -0.752913
H -6.935880 -2.106215 0.126875
H -5.348415 1.202322 1.224661
H -6.837164 0.211058 1.351545
H -5.346809 -0.308268 2.195991
H -1.601694 -1.227970 0.008190
H 0.704826 -1.326098 -0.024633
H -1.318346 2.518071 -0.193423
H 3.050785 2.325640 -0.254606
H 2.963941 -1.424250 -0.055095
H 0.918772 3.653047 -0.288861
H 7.375786 -1.158406 0.755599
H 6.974963 0.295220 -0.221507
H 7.342897 -1.260306 -1.042315
H 4.422721 -2.836869 -0.907737
H 4.445910 -2.733439 0.896949
H 5.921634 -3.145370 -0.003482


