%chk=000100057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100057

0 1
 O   -2.442000     -0.2863000       1.622800    
 O   -2.710000       2.091200     -3.1599998E-02
 O    1.876700      -2.873000       1.370700    
 O    1.506800       1.814400      -1.173600    
 O   -2.499200       4.159900      0.9562000    
 N   -2.271400      -2.311800      -1.544300    
 N  -0.7111000      -1.686200      0.8011000    
 N    4.008300      0.9060000     -0.6920000    
 N   -4.506400       3.462200      7.7900000E-02
 C   -2.730900      -1.534900     -0.3964000    
 C   -2.353000      -2.971000     -0.2478000    
 C   -1.783200     -0.7264000      0.4406000    
 C   -1.123400      -3.075600      0.6084000    
 C   -1.022100      0.4228000     -0.3049000    
 C   0.5241000      -1.143900      0.5236000    
 C   0.4271000      3.9200000E-02 -8.2000002E-02
 C   -3.218800      -2.770700      -2.531500    
 C   -1.346600       1.817400      0.2296000    
 C    1.810400      -1.789400      0.8006000    
 C    1.612200      0.7611000     -0.5529000    
 C    3.037500      -1.041900      0.3695000    
 C    2.953200      0.1500000     -0.2598000    
 C    4.329100      -1.740800      0.7024000    
 C   -3.176700       3.312000      0.3849000    
 C    4.280700       2.231300     -0.2053000    
 C    5.528600       2.784300     -0.8663000    
 H   -3.765100      -1.226700     -0.3726000    
 H   -3.106800      -3.724200     -7.8900002E-02
 H   -1.365000      -3.526000       1.576100    
 H  -0.3570000      -3.678600      0.1108000    
 H   -1.240400      0.3813000      -1.379900    
 H   -4.215100      -2.970900      -2.120100    
 H   -2.857300      -3.689700      -3.003800    
 H   -3.331100      -2.015700      -3.316200    
 H   -2.632800      -1.076800       2.155800    
 H  -0.7378000       2.571100     -0.2821000    
 H   -1.143400       1.890000       1.305400    
 H    5.215800      -1.145100      0.4709000    
 H    4.405300      -2.680100      0.1445000    
 H    4.373300      -1.968400       1.773100    
 H    4.842600      0.3649000     -0.9040000    
 H    3.455600       2.921400     -0.4033000    
 H    4.431400       2.205000      0.8804000    
 H   -5.024900       2.730500     -0.3963000    
 H   -5.011300       4.309200      0.3158000    
 H    6.400100       2.155900     -0.6534000    
 H    5.408500       2.832800      -1.953800    
 H    5.740000       3.793800     -0.4998000    


%chk=000100057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100057

0 1
O -2.180854 -0.225268 1.844050
O -2.774769 2.080143 -0.226097
O 1.907495 -3.164045 0.966850
O 1.589952 2.052149 -0.868554
O -3.009311 3.915302 1.241328
N -2.362858 -2.217695 -1.393845
N -0.632291 -1.753256 0.719087
N 4.143704 0.915691 -0.318019
N -4.714933 3.262379 -0.232882
C -2.819693 -1.500032 -0.148252
C -2.460607 -2.985814 -0.094658
C -1.709813 -0.716824 0.547058
C -1.104759 -3.152783 0.599596
C -0.988280 0.462451 -0.183765
C 0.598265 -1.201317 0.458808
C 0.488829 0.116317 0.023986
C -3.420389 -2.495502 -2.400435
C -1.392766 1.858454 0.290034
C 1.900315 -1.927741 0.598053
C 1.645660 0.880122 -0.335504
C 3.091496 -1.154539 0.308300
C 2.994412 0.193200 -0.097791
C 4.434967 -1.833092 0.481212
C -3.463297 3.161806 0.345892
C 4.315437 2.328407 -0.730415
C 5.805440 2.702701 -0.650508
H -3.847782 -1.131034 -0.071968
H -3.230671 -3.757973 0.014348
H -1.218126 -3.632721 1.590695
H -0.379225 -3.743102 0.018372
H -1.218609 0.386097 -1.265395
H -4.419820 -2.729993 -1.965888
H -3.097718 -3.351143 -3.018395
H -3.522033 -1.611096 -3.052786
H -2.570962 -0.981196 2.354326
H -0.720151 2.612244 -0.152698
H -1.396867 1.948740 1.386362
H 5.056391 -1.346831 1.261905
H 5.023128 -1.853166 -0.459604
H 4.266850 -2.876593 0.792875
H 5.017436 0.404164 -0.166312
H 3.923573 2.471458 -1.753427
H 3.705572 2.980968 -0.082241
H -4.994902 2.626701 -0.974934
H -5.330148 4.010235 0.072859
H 6.192420 2.605803 0.380906
H 6.420422 2.069781 -1.318648
H 5.944371 3.751046 -0.965379


