%chk=000043821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043821

0 1
 O   -1.815500       2.195800     -0.6304000    
 N  -0.7478000      0.6957000      0.7819000    
 N   -5.275800      -1.319500     -5.3900000E-02
 C    1.662700      0.5999000      0.4216000    
 C    2.980500      -1.542300      0.7366000    
 C    2.668600     -0.5919000      -1.576600    
 C    4.173400      0.5763000      7.3299997E-02
 C    1.786700     -0.7098000       1.235900    
 C    1.475600      0.2380000      -1.070900    
 C    2.976200       1.403100      0.5742000    
 C    2.773900      -1.883400     -0.7486000    
 C    4.271100     -0.7210000      0.8931000    
 C    3.960800      0.2246000      -1.408500    
 C   0.4741000       1.425500      0.9210000    
 C   -1.814500       1.144600      4.9000001E-03
 C   -3.024700      0.2831000     -1.5500000E-02
 C   -4.249400      0.8603000     -0.2543000    
 C   -2.885300      -1.066800      0.2046000    
 C   -5.346700      1.4300000E-02 -0.2633000    
 C   -4.043700      -1.826600      0.1750000    
 H    3.057500      -2.466000       1.321000    
 H    2.524000     -0.8410000      -2.633700    
 H    5.096100       1.156000      0.1870000    
 H   0.8820000      -1.323100       1.148600    
 H    1.914800     -0.4841000       2.302400    
 H    1.379300       1.150400      -1.673600    
 H   0.5569000     -0.3410000      -1.226400    
 H    3.132400       1.678200       1.625200    
 H    2.914900       2.341900      8.8000000E-03
 H    3.609600      -2.493900      -1.112100    
 H    1.864000      -2.483300     -0.8725000    
 H    4.438600     -0.4840000       1.951000    
 H    5.133100      -1.311100      0.5587000    
 H    4.817400     -0.3487000      -1.783700    
 H    3.904900       1.142000      -2.007200    
 H   0.4121000       2.378100      0.3832000    
 H   0.5871000       1.660400       1.985700    
 H  -0.8698000     -0.1158000       1.377800    
 H   -4.378300       1.922800     -0.4250000    
 H   -1.935900      -1.562900      0.3654000    
 H   -6.344500      0.4007000     -0.4437000    
 H   -4.008600      -2.899600      0.3326000    


%chk=000043821-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043821

0 1
O -1.692143 2.100267 -0.705574
N -0.814136 0.657527 0.903804
N -5.537213 -1.206167 -0.074806
C 1.687436 0.532581 0.443947
C 3.126224 -1.565544 0.685715
C 2.731102 -0.559577 -1.609773
C 4.210611 0.642539 0.064113
C 1.886584 -0.800021 1.225788
C 1.494661 0.205681 -1.064737
C 2.970641 1.400155 0.609161
C 2.913393 -1.883692 -0.819531
C 4.392266 -0.681825 0.854283
C 3.998846 0.321915 -1.440632
C 0.485129 1.341882 1.003670
C -1.809820 1.075148 0.037108
C -3.076491 0.246866 0.031527
C -4.265770 0.855604 -0.438932
C -3.141192 -1.112886 0.429758
C -5.459060 0.102846 -0.467088
C -4.380458 -1.789575 0.357965
H 3.251856 -2.509007 1.253268
H 2.576298 -0.785658 -2.683190
H 5.110750 1.276513 0.188023
H 0.986353 -1.441311 1.117573
H 2.015685 -0.585383 2.307794
H 1.341495 1.144437 -1.633208
H 0.580038 -0.405257 -1.201338
H 3.121888 1.649915 1.680478
H 2.843921 2.358961 0.065590
H 3.783892 -2.445042 -1.214345
H 2.021682 -2.529988 -0.950058
H 4.563959 -0.463961 1.928000
H 5.284501 -1.224982 0.483706
H 4.886359 -0.206543 -1.843083
H 3.886571 1.261751 -2.017760
H 0.379226 2.289116 0.444100
H 0.678316 1.589602 2.067699
H -1.003384 -0.117348 1.540342
H -4.234445 1.894660 -0.779557
H -2.252707 -1.665460 0.756648
H -6.395890 0.550085 -0.816985
H -4.459172 -2.842923 0.650137


