%chk=000060384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060384

0 1
 O   -3.648000       1.473800     -0.1911000    
 O    3.682800       1.537500     -0.1981000    
 N   -8.213500      -1.606200      0.6479000    
 N    8.291900      -1.518600      0.4758000    
 C   1.2300000E-02  0.8288000     -0.7435000    
 C   -1.254000       1.508100     -0.2252000    
 C    1.271200       1.516900     -0.2078000    
 C   -2.510700      0.8049000     -0.7181000    
 C    2.548000      0.8762000     -0.7383000    
 C   -4.771100      0.7155000      1.5500000E-02
 C    4.817300      0.7856000     -3.2600001E-02
 C   -5.660400       1.050500       1.036600    
 C    5.713600       1.092000      0.9913000    
 C   -5.025000     -0.3907000     -0.7955000    
 C    5.074900     -0.2858000     -0.8878000    
 C   -7.057400     -0.8268000      0.4357000    
 C    7.125300     -0.7447000      0.3049000    
 C   -6.803600      0.2794000       1.246700    
 C    6.867600      0.3268000       1.160000    
 C   -6.168100      -1.161800     -0.5853000    
 C    6.229000      -1.050900     -0.7190000    
 C   -8.883100      -2.305100     -0.4050000    
 C    8.361200      -2.905300      0.1328000    
 H   1.6899999E-02 -0.2255000     -0.4412000    
 H   1.8800000E-02  0.8519000      -1.839900    
 H   -1.277200       2.559200     -0.5387000    
 H   -1.254200       1.522400      0.8720000    
 H    1.279500       1.486300      0.8891000    
 H    1.264300       2.580600     -0.4769000    
 H   -2.464000     -0.2394000     -0.3825000    
 H   -2.552500      0.8336000      -1.813100    
 H    2.525600     -0.1839000     -0.4535000    
 H    2.576800      0.9543000      -1.831400    
 H   -5.467600       1.911100       1.671300    
 H    5.517600       1.925300       1.660400    
 H   -4.372200     -0.6700000      -1.617200    
 H    4.418600     -0.5388000      -1.715300    
 H   -7.488700      0.5516000       2.045500    
 H    7.557600      0.5758000       1.962200    
 H   -6.336800      -2.018200      -1.232000    
 H    6.409000      -1.869700      -1.409800    
 H   -8.751400      -1.390100       1.481100    
 H    8.963900      -1.170300       1.152100    
 H   -8.296400      -3.159800     -0.7563000    
 H   -9.837100      -2.697300     -3.8100000E-02
 H   -9.100700      -1.644400      -1.250700    
 H    8.348500      -3.051900     -0.9518000    
 H    9.298900      -3.330300      0.5051000    
 H    7.539600      -3.471900      0.5835000    


%chk=000060384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060384

0 1
O -3.713776 1.027003 0.538864
O 3.676151 0.939590 0.573102
N -9.057799 -0.572875 -0.468557
N 8.989716 -0.810102 -0.341415
C -0.027105 0.134438 0.176520
C -1.302647 0.927580 0.540503
C 1.263206 0.898715 0.550229
C -2.579632 0.178081 0.151356
C 2.525613 0.115299 0.180809
C -5.010908 0.545630 0.250886
C 4.964025 0.421466 0.308331
C -6.077850 1.399722 0.627890
C 6.047639 1.251818 0.690796
C -5.300468 -0.691260 -0.368448
C 5.229556 -0.829443 -0.293372
C -7.721016 -0.222098 -0.239359
C 7.659521 -0.422270 -0.134711
C -7.408144 1.024123 0.387778
C 7.370809 0.838859 0.473954
C -6.642301 -1.070782 -0.611176
C 6.564212 -1.246656 -0.512728
C -9.465087 -1.819870 -1.102637
C 9.373240 -2.077942 -0.948364
H -0.040155 -0.847669 0.694241
H -0.025238 -0.083799 -0.912314
H -1.296554 1.909139 0.029228
H -1.324851 1.132028 1.627982
H 1.278013 1.109709 1.636597
H 1.286713 1.876675 0.032685
H -2.642446 -0.799085 0.677731
H -2.607022 -0.011975 -0.943696
H 2.558647 -0.858471 0.716167
H 2.559982 -0.085078 -0.912228
H -5.840800 2.354744 1.107513
H 5.829015 2.218116 1.156383
H -4.499281 -1.373521 -0.669194
H 4.414960 -1.493650 -0.598330
H -8.220951 1.698764 0.686359
H 8.196902 1.495388 0.776411
H -6.839264 -2.033970 -1.092200
H 6.742528 -2.219668 -0.981099
H -9.777263 0.083799 -0.175871
H 9.722000 -0.170352 -0.043082
H -9.131799 -2.708896 -0.526555
H -10.565467 -1.854337 -1.168246
H -9.061078 -1.915465 -2.132716
H 8.983817 -2.179566 -1.983424
H 10.473200 -2.143083 -0.994966
H 9.006436 -2.948101 -0.363827


