%chk=000050065.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050065

0 1
 O   -1.212500       1.854900      -1.031600    
 O    2.630500     -0.7729000     -0.2233000    
 O    3.545800       1.130800      0.6532000    
 N    4.912300      -3.669800     -0.1262000    
 N    1.368800       1.091800     -0.2174000    
 C   -4.609200      -1.610500     -0.2317000    
 C   -4.198900     -0.1608000      3.6499999E-02
 C   -5.935800      -1.999500      0.4271000    
 C   -2.883300      0.1798000     -0.6618000    
 C   -6.382700      -3.424700      9.8899998E-02
 C   -2.444200       1.607200     -0.3677000    
 C   -7.737300      -3.736900      0.7169000    
 C  -0.3698000       2.767300     -0.4516000    
 C   0.9128000       2.400600     -4.3400001E-02
 C    3.692600      -2.919600     -0.3851000    
 C  -0.8109000       4.078300     -0.2711000    
 C    3.844700      -1.475500      6.5800004E-02
 C    1.754100       3.345100      0.5448000    
 C   3.0400001E-02   5.022700      0.3171000    
 C    1.312800       4.656100      0.7251000    
 C    4.983000      -4.855900     -0.9832000    
 C    4.991800      -4.059800       1.283700    
 C    2.604700      0.5513000      0.1250000    
 H   -4.690300      -1.765200      -1.314900    
 H   -3.821000      -2.284700      0.1259000    
 H   -4.987700      0.5156000     -0.3140000    
 H   -4.096300     -6.3000000E-03   1.117400    
 H   -6.712500      -1.296100      0.1016000    
 H   -5.844200      -1.887700       1.514600    
 H   -2.981400      4.4300001E-02  -1.746100    
 H   -2.094400     -0.5132000     -0.3431000    
 H   -5.639500      -4.140500      0.4683000    
 H   -6.446000      -3.553300     -0.9878000    
 H   -2.337200       1.741600      0.7165000    
 H   -3.194900       2.315800     -0.7358000    
 H   -8.507700      -3.057700      0.3380000    
 H   -8.037600      -4.760700      0.4733000    
 H   -7.701700      -3.643200       1.807000    
 H    3.476900      -2.893800      -1.462300    
 H    2.808500      -3.382100      7.4000001E-02
 H    4.029000      -1.410900       1.143300    
 H    4.672600     -0.9951000     -0.4700000    
 H   -1.803900       4.381500     -0.5915000    
 H    2.758700       3.141000      0.8869000    
 H   0.7094000      0.4498000     -0.6510000    
 H  -0.3122000       6.043900      0.4556000    
 H    1.967100       5.392700       1.182600    
 H    4.989400      -4.568300      -2.040500    
 H    4.141300      -5.537400     -0.8141000    
 H    5.914100      -5.405400     -0.8047000    
 H    5.033200      -3.187800       1.943300    
 H    5.914100      -4.622300       1.470300    
 H    4.145600      -4.686300       1.588900    


%chk=000050065-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050065

0 1
O -1.082396 0.938963 0.110971
O 2.582623 -1.373420 -0.908833
O 3.839703 0.553917 -0.375898
N 5.654386 -3.452222 -0.155475
N 1.474638 0.473854 -0.236461
C -5.390342 -1.559801 -0.194413
C -4.728034 -0.195370 0.101637
C -6.929610 -1.535541 -0.060434
C -3.188826 -0.241738 -0.041000
C -7.585243 -2.905659 -0.347558
C -2.537577 1.104076 0.282290
C -9.123312 -2.878549 -0.215287
C -0.248610 2.042491 0.383605
C 1.144374 1.781954 0.193577
C 4.361932 -2.779841 0.108292
C -0.691265 3.310446 0.807875
C 3.848428 -2.103954 -1.177697
C 2.081750 2.811335 0.438645
C 0.256416 4.334657 1.050304
C 1.632061 4.082609 0.866273
C 5.868183 -4.665717 0.656861
C 6.809337 -2.531475 -0.092700
C 2.733027 -0.035422 -0.484423
H -5.117174 -1.885038 -1.219832
H -4.974820 -2.324113 0.494942
H -5.144578 0.570035 -0.585910
H -4.998338 0.126018 1.129258
H -7.348847 -0.777511 -0.754904
H -7.205450 -1.205474 0.963098
H -2.915256 -0.535871 -1.072605
H -2.771857 -1.012294 0.635960
H -7.166342 -3.661884 0.347442
H -7.306446 -3.235321 -1.369344
H -2.750813 1.409499 1.327783
H -2.898289 1.899908 -0.402021
H -9.569520 -2.152397 -0.920917
H -9.565581 -3.869514 -0.426352
H -9.428442 -2.583019 0.806348
H 3.622944 -3.535730 0.430281
H 4.433714 -2.017236 0.920795
H 4.591611 -1.395553 -1.581794
H 3.586853 -2.855230 -1.937687
H -1.757135 3.510061 0.950546
H 3.143957 2.604385 0.292165
H 0.681383 -0.158240 -0.380897
H -0.087511 5.320590 1.380309
H 2.365288 4.874048 1.053583
H 5.027264 -5.367070 0.513297
H 5.966966 -4.459868 1.753088
H 6.792968 -5.172193 0.325154
H 6.631537 -1.647724 -0.728144
H 7.713817 -3.044197 -0.466624
H 7.017555 -2.166460 0.944534


