%chk=000063756.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063756

0 1
 O    1.785100       2.138000       1.204900    
 N   -4.215400      4.3200001E-02  0.2809000    
 N   0.9769000       1.147900     -0.7569000    
 N    1.973800     -0.8533000      -1.566400    
 C   -5.759400      -1.707400      0.3132000    
 C   -4.400600      -2.249900     -0.1194000    
 C   -5.466600     -0.3477000      0.9297000    
 C   -3.399800      -1.170800      0.2665000    
 C   -3.556900       1.147100      0.9633000    
 C   -2.308800       1.510900      0.2862000    
 C  -4.0700000E-02   2.182200     -0.9377000    
 C    2.830400      0.1752000      0.4847000    
 C    1.097100      9.6799999E-02  -1.663800    
 C    1.823300       1.250100      0.3577000    
 C   -1.284900       1.812200     -0.2650000    
 C    2.862300     -0.8316000     -0.4835000    
 C    3.732600      0.1684000       1.554600    
 C   0.1480000      5.7599999E-02  -2.837900    
 C    3.813400      -1.851600     -0.3669000    
 C    4.674700     -0.8540000       1.657500    
 C    4.715500      -1.863400      0.6982000    
 H   -6.253900      -2.374100       1.026900    
 H   -6.413300      -1.606000     -0.5609000    
 H   -4.396300      -2.416600      -1.203000    
 H   -4.171100      -3.203000      0.3680000    
 H   -6.273700      0.3654000      0.7345000    
 H   -5.347000     -0.4520000       2.015800    
 H   -2.981800      -1.394400       1.256900    
 H   -2.580000      -1.128300     -0.4579000    
 H   -4.220500       2.020400      0.9653000    
 H   -3.347700      0.9029000       2.012700    
 H  -0.2186000       2.374600      -1.998900    
 H   0.3304000       3.123300     -0.5151000    
 H    3.716800      0.9461000       2.313000    
 H   0.3644000      0.8866000      -3.517500    
 H  -0.8908000      0.1149000      -2.505200    
 H   0.2754000     -0.8775000      -3.392500    
 H    3.857500      -2.646100      -1.108100    
 H    5.376900     -0.8637000       2.486000    
 H    5.449400      -2.659900      0.7787000    


%chk=000063756-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063756

0 1
O 2.145638 2.447527 1.011634
N -4.346123 -0.006353 0.253712
N 1.108645 1.121361 -0.632385
N 2.004040 -0.998810 -1.339781
C -6.131300 -1.578721 0.068508
C -4.792658 -2.256008 -0.390448
C -5.686154 -0.301541 0.827035
C -3.674736 -1.328740 0.151727
C -3.596377 1.018938 1.012345
C -2.323312 1.403791 0.375151
C 0.031760 2.155324 -0.723793
C 3.155918 0.313098 0.428142
C 1.088102 -0.042561 -1.427816
C 2.145071 1.377561 0.330662
C -1.243720 1.735281 -0.120199
C 3.046655 -0.843715 -0.408013
C 4.228809 0.433459 1.350194
C -0.021364 -0.193871 -2.441074
C 4.026175 -1.870786 -0.300486
C 5.187600 -0.587684 1.444857
C 5.082278 -1.742052 0.615944
H -6.736267 -2.237990 0.714868
H -6.744879 -1.312392 -0.808513
H -4.748963 -2.307772 -1.491406
H -4.684566 -3.283039 -0.000921
H -6.370321 0.553217 0.679222
H -5.625959 -0.509239 1.927480
H -3.322316 -1.685093 1.154537
H -2.794630 -1.269546 -0.511708
H -4.236708 1.918990 1.098733
H -3.377317 0.681533 2.061281
H -0.111655 2.434114 -1.782702
H 0.430419 3.034977 -0.183771
H 4.279358 1.332671 1.972749
H 0.039133 0.583611 -3.226366
H -1.019871 -0.116013 -1.975402
H 0.088840 -1.178965 -2.915451
H 3.926203 -2.746741 -0.948389
H 6.016966 -0.499653 2.154499
H 5.833681 -2.535668 0.693942


