%chk=000039222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039222

0 1
 O    2.621200      -1.614900     -0.9090000    
 O   -4.695400     -2.1700000E-02   1.024200    
 O    1.377500      0.2551000      -1.341500    
 N    5.181000      0.7761000      0.3133000    
 N   0.4994000      -1.566100     -0.1528000    
 C    3.961000     -1.9300001E-02  0.2987000    
 C    3.853400     -0.8863000     -0.9581000    
 C    5.277100       1.597900     -0.8951000    
 C    5.231600       1.623200       1.507000    
 C    4.983400      -1.900200      -1.083600    
 C    6.578300       2.381700     -0.9238000    
 C    5.133500      0.7917000       2.774800    
 C    1.479200     -0.8613000     -0.8476000    
 C   -6.830400      0.6046000      0.1393000    
 C   -7.575600       1.503800     -0.8430000    
 C   -5.329200      0.8538000      0.1017000    
 C  -0.8076000      -1.177800      0.1428000    
 C   -3.411800     -0.4039000      0.7321000    
 C   -9.069500       1.221800     -0.8335000    
 C   -1.644900      -2.034400      0.8574000    
 C   -1.277000      6.7100003E-02 -0.2761000    
 C   -2.951600      -1.646100       1.153100    
 C   -2.583700      0.4555000      1.9700000E-02
 H    3.924200     -0.7101000       1.149700    
 H    3.088800      0.6357000      0.4091000    
 H    3.811400     -0.2998000      -1.880900    
 H    5.317300      0.9809000      -1.796300    
 H    4.425400       2.282100     -0.9966000    
 H    4.441300       2.384500       1.504000    
 H    6.192700       2.143900       1.569200    
 H    4.816500      -2.548400      -1.951100    
 H    5.016800      -2.557700     -0.2077000    
 H    5.959100      -1.419700      -1.198000    
 H    6.733500       2.799400      -1.925300    
 H    7.441300       1.745300     -0.6996000    
 H    6.571600       3.229800     -0.2323000    
 H    5.821200     -6.0800001E-02   2.756900    
 H    5.403900       1.409200       3.639000    
 H    4.117900      0.4279000       2.959700    
 H   -7.027600     -0.4507000     -8.8000000E-02
 H   -7.201700      0.7655000       1.159100    
 H   -7.404900       2.556000     -0.5875000    
 H   -7.189800       1.349500      -1.857500    
 H   -4.986500      0.6766000     -0.9262000    
 H   -5.113800       1.890900      0.3841000    
 H   0.7755000      -2.485600      0.1834000    
 H   -9.275100      0.1853000      -1.119200    
 H   -9.495000       1.395500      0.1601000    
 H   -9.583700       1.877900      -1.542700    
 H   -1.292300      -3.007500       1.190100    
 H  -0.6846000      0.7853000     -0.8263000    
 H   -3.600600      -2.316000       1.710000    
 H   -2.901600       1.443600     -0.2986000    


%chk=000039222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039222

0 1
O 2.616494 -1.517063 0.336785
O -5.208283 -0.575661 0.189554
O 1.416139 0.235633 -0.701595
N 5.395134 1.045336 0.410509
N 0.366069 -1.525856 0.490002
C 4.303362 0.192802 0.940839
C 3.905237 -0.883908 -0.098403
C 4.872794 2.180101 -0.405268
C 6.375794 1.471098 1.444617
C 4.919765 -2.016692 -0.223454
C 5.872528 2.664079 -1.472130
C 7.314216 0.333597 1.890642
C 1.442483 -0.825203 -0.022393
C -7.284557 0.514337 -0.399522
C -7.987848 1.679649 -1.133910
C -5.762446 0.579584 -0.539986
C -1.018902 -1.216748 0.366907
C -3.811348 -0.725999 0.206222
C -9.523803 1.622878 -0.990065
C -1.945576 -2.092331 0.997133
C -1.503946 -0.092836 -0.345538
C -3.326330 -1.851072 0.918514
C -2.893381 0.149158 -0.423976
H 4.641574 -0.315365 1.861922
H 3.400945 0.791112 1.205671
H 3.720953 -0.396902 -1.073411
H 3.948458 1.838053 -0.906189
H 4.571605 3.036863 0.248855
H 5.863558 1.911187 2.337895
H 6.989701 2.279640 1.007724
H 4.638127 -2.718390 -1.026991
H 4.996424 -2.580022 0.724187
H 5.905554 -1.578463 -0.456566
H 5.432025 3.487084 -2.065390
H 6.132709 1.836485 -2.154984
H 6.809523 3.040519 -1.022731
H 7.876856 -0.056864 1.024561
H 8.034585 0.700518 2.645539
H 6.757075 -0.507948 2.341174
H -7.641121 -0.453955 -0.800262
H -7.546687 0.533096 0.675773
H -7.615185 2.646262 -0.737477
H -7.716964 1.656929 -2.209256
H -5.458531 0.526437 -1.607078
H -5.363177 1.520754 -0.105710
H 0.614135 -2.369070 1.011840
H -9.925945 0.680384 -1.406531
H -9.824185 1.674624 0.073242
H -10.009559 2.462018 -1.520475
H -1.583120 -2.967079 1.551807
H -0.795661 0.581384 -0.831477
H -4.045709 -2.519803 1.400316
H -3.240457 1.024430 -0.980859


