%chk=000050410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050410

0 1
 O   -1.840800       3.011900     -0.7781000    
 O   -2.047700       2.107400       1.322700    
 N   -3.787900      0.2295000      0.2299000    
 N   -3.177200       1.230700     -0.5050000    
 C   -3.432900      -1.077300     -0.3063000    
 C   -1.943200      -1.335400     -0.1981000    
 C   0.7744000      -1.805600     -7.9999998E-04
 C    2.240000      -2.059800      0.1057000    
 C   -1.208400      -1.529900      -1.353100    
 C   -1.355400      -1.369700       1.053000    
 C   0.1626000      -1.767100      -1.253600    
 C   1.5500000E-02  -1.606800       1.152600    
 C   -4.249200      -2.164000      0.3971000    
 C    3.086200     -0.8029000      7.3299997E-02
 C    3.388600     -0.1639000       1.261900    
 C    3.535300     -0.3246000      -1.144200    
 C    4.167100      0.9933000       1.232100    
 C    4.313700      0.8324000      -1.174000    
 C    4.629600       1.491300      1.4100000E-02
 C   -2.330000       2.113900      0.1284000    
 C  -0.9403000       3.996400     -0.2578000    
 H   -3.728000      -1.112400      -1.364900    
 H    2.561900      -2.737300     -0.6977000    
 H    2.456700      -2.622000       1.025000    
 H   -1.673100      -1.501700      -2.334100    
 H   -1.929700      -1.212000       1.961000    
 H   0.7415000      -1.920800      -2.160500    
 H   0.4793000      -1.633400       2.135100    
 H   -4.086300      -2.173500       1.480900    
 H   -3.987500      -3.157200      1.4600000E-02
 H   -5.321800      -2.015700      0.2267000    
 H   -4.793700      0.3753000      0.1494000    
 H    3.033600     -0.5440000       2.215300    
 H    3.295100     -0.8307000      -2.074600    
 H   -3.378200       1.303600      -1.497200    
 H    4.412900       1.506500       2.157200    
 H    4.673900       1.220300      -2.122400    
 H    5.235700       2.392300     -9.2000002E-03
 H  -5.2299999E-02   3.512800      0.1603000    
 H   -1.442400       4.606400      0.4991000    
 H  -0.6317000       4.644100      -1.082700    


%chk=000050410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050410

0 1
O -2.857951 3.456784 0.710455
O -3.063594 1.733712 2.309648
N -4.029570 0.113702 0.104557
N -3.668867 1.467775 0.027639
C -3.284777 -0.813328 -0.783253
C -1.818158 -0.954569 -0.369329
C 0.912037 -1.384991 0.372927
C 2.358570 -1.660954 0.783820
C -0.838265 -1.254035 -1.348321
C -1.419258 -0.857129 0.984687
C 0.507343 -1.469111 -0.984376
C -0.069736 -1.067953 1.344445
C -4.013976 -2.178768 -0.728089
C 3.424741 -0.972089 -0.066831
C 3.360972 0.422699 -0.324345
C 4.519010 -1.705693 -0.589456
C 4.367409 1.065532 -1.077266
C 5.529162 -1.066464 -1.345749
C 5.457639 0.323313 -1.591215
C -3.184487 2.147579 1.135231
C -2.330044 4.330270 1.775767
H -3.307815 -0.455152 -1.843425
H 2.541072 -2.754233 0.758052
H 2.483850 -1.356910 1.842397
H -1.129392 -1.316103 -2.405661
H -2.163567 -0.585363 1.740825
H 1.254177 -1.689290 -1.756449
H 0.224811 -0.979439 2.397902
H -4.029177 -2.556467 0.309146
H -3.487295 -2.915298 -1.356982
H -5.056231 -2.096170 -1.093770
H -5.048597 -0.019552 0.078237
H 2.512958 1.000345 0.062869
H 4.581101 -2.785451 -0.402941
H -3.669545 1.970875 -0.868335
H 4.303073 2.143681 -1.264661
H 6.367000 -1.651580 -1.742159
H 6.238504 0.822009 -2.176491
H -1.409009 3.901949 2.206693
H -3.076534 4.458619 2.578319
H -2.121686 5.287648 1.276586


