%chk=000045678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045678

1 1
 O   -2.342300     -0.4297000     -0.9365000    
 O   -2.779200     -0.6668000       1.334800    
 N    3.121100     -0.8800000      0.2008000    
 N   -4.510000     -0.4459000     -0.1942000    
 C    1.102700      0.5475000     -8.0399998E-02
 C    1.709500     -0.7176000     -9.0899996E-02
 C    1.950500       1.763600      0.1983000    
 C  -0.2665000      0.6594000     -0.3850000    
 C    1.130200       3.003100      0.5505000    
 C  -0.9722000       1.992400     -0.3650000    
 C  -1.6400000E-02   3.181700     -0.4363000    
 C   -1.008400     -0.5000000     -0.6578000    
 C   0.9633000      -1.861000     -0.3743000    
 C    3.719800      -2.106900     -0.5407000    
 C    3.371600      -1.071100       1.722300    
 C    4.020600      0.3252000     -0.2118000    
 C  -0.3955000      -1.752600     -0.6551000    
 C   -3.185900     -0.5269000      0.1852000    
 C   -5.612800     -0.5145000      0.7360000    
 H    2.520000       1.633500       1.117200    
 H    2.522100       2.064200     -0.6814000    
 H   0.7205000       2.909500       1.565100    
 H    1.774800       3.889700      0.5484000    
 H   -1.671700       2.065900      -1.206200    
 H   -1.555700       2.057300      0.5619000    
 H   0.3854000       3.278100      -1.453000    
 H  -0.5628000       4.106100     -0.2181000    
 H    1.365700      -2.866700     -0.3617000    
 H    3.344500      -3.029900     -9.0400003E-02
 H    4.806100      -2.105600     -0.4003000    
 H    3.481000      -2.024900      -1.605700    
 H    2.983900     -0.2028000       2.260700    
 H    2.848700      -1.979200       2.038000    
 H    4.449000      -1.178900       1.880200    
 H    5.040000     -7.1199998E-02 -0.3193000    
 H    4.156300       1.061700      0.5789000    
 H    3.750200      0.6562000      -1.217800    
 H  -0.9744000      -2.647900     -0.8657000    
 H   -4.720500     -0.3303000      -1.180700    
 H   -6.247900      -1.356500      0.4504000    
 H   -6.184800      0.4131000      0.6555000    
 H   -5.261700     -0.6458000       1.762200    


%chk=000045678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045678

1 1
O -2.335426 -0.531128 -0.934107
O -2.881484 -0.293429 1.372752
N 3.307297 -0.924339 0.124032
N -4.524765 -0.408214 -0.318846
C 1.158321 0.554835 -0.039362
C 1.800349 -0.721697 -0.182539
C 1.873602 1.874016 0.301881
C -0.253176 0.615462 -0.281265
C 0.946324 2.967364 0.874800
C -1.069396 1.897593 -0.159998
C -0.238786 3.188933 -0.077789
C -0.952361 -0.567524 -0.642339
C 1.081153 -1.872362 -0.571875
C 3.799135 -2.339107 -0.214382
C 3.562806 -0.747114 1.630440
C 4.189048 0.016820 -0.711373
C -0.300628 -1.795519 -0.809002
C -3.259323 -0.394501 0.185617
C -5.713610 -0.306818 0.540425
H 2.706379 1.730278 1.011309
H 2.321899 2.279142 -0.630083
H 0.574463 2.670331 1.874560
H 1.531136 3.895971 1.003717
H -1.782106 1.941077 -1.004720
H -1.690131 1.802755 0.753219
H 0.139418 3.476855 -1.078424
H -0.878944 4.016764 0.274105
H 1.554097 -2.845375 -0.697517
H 3.278886 -3.079284 0.408227
H 4.876144 -2.375321 0.009642
H 3.637791 -2.543546 -1.282137
H 3.247209 0.250041 1.954713
H 2.974146 -1.506253 2.165867
H 4.637854 -0.884299 1.827186
H 5.244514 -0.224177 -0.510620
H 3.993838 1.059084 -0.447064
H 3.954953 -0.149326 -1.773320
H -0.871986 -2.677349 -1.109087
H -4.631527 -0.514297 -1.328921
H -6.340805 -1.211172 0.451572
H -6.316665 0.578807 0.273720
H -5.380842 -0.208478 1.585083


