%chk=000042551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042551

0 1
 O  -0.4789000      -2.112700     -0.8419000    
 N    2.684900      0.5112000      0.7006000    
 N   -1.874900     -0.9679000      -2.163000    
 N   -1.582800      -2.166600      -2.786800    
 C    3.837800       1.154100      4.1499998E-02
 C    4.533500      -1.107800       1.051600    
 C    3.018700     -0.8446000       1.175500    
 C    4.445900      0.2534000      -1.051400    
 C    4.899300       1.370700       1.140700    
 C    4.897400      -1.080100     -0.4424000    
 C    5.292200      2.3499999E-02   1.764600    
 C    1.470000      0.5288000     -0.1033000    
 C   0.2712000      6.5700002E-02  0.7465000    
 C   -1.144600      3.5700001E-02  2.6600000E-02
 C   -1.327600       1.504100     -0.4913000    
 C   -2.263300     -0.3622000       1.055200    
 C   -1.214100      -1.055700      -1.110800    
 C   -1.906500       2.394100      0.3563000    
 C   -3.547300     -0.3216000      0.6181000    
 C  -0.8933000       1.778200      -1.748900    
 C   -1.859700     -0.7163000       2.301400    
 C   -2.069100       3.700600     -0.1043000    
 C   -4.540800     -0.6750000       1.531300    
 C   -1.056000       3.084800      -2.209300    
 C   -2.853100      -1.069800       3.214500    
 C  -0.7651000      -2.801800      -1.980300    
 C   -1.643800       4.046000      -1.386800    
 C   -4.193700      -1.049200       2.829300    
 C  -0.1363000      -4.119700      -2.133000    
 H    3.559700       2.129000     -0.3759000    
 H    4.792900      -2.077500       1.489300    
 H    2.501900      -1.626900      0.6042000    
 H    2.708900     -0.9399000       2.222700    
 H    5.305400      0.7539000      -1.514100    
 H    3.725800      7.3299997E-02  -1.857700    
 H    4.517300       2.043700       1.918600    
 H    5.787200       1.856000      0.7172000    
 H    4.412200      -1.910900     -0.9685000    
 H    5.977900      -1.209500     -0.5762000    
 H    6.374900     -0.1269000       1.682400    
 H    5.052000      2.4499999E-02   2.834600    
 H    1.567400     -9.4499998E-02 -0.9992000    
 H    1.314800       1.561400     -0.4259000    
 H   0.4860000     -0.9409000       1.123500    
 H   0.2309000      0.7437000       1.612700    
 H   -2.215300       2.170300       1.370000    
 H   -3.831100     -2.9500000E-02 -0.3866000    
 H  -0.4006000       1.066200      -2.399600    
 H  -0.8473000     -0.7633000       2.673500    
 H   -2.518700       4.451600      0.5389000    
 H   -5.584600     -0.6581000       1.231800    
 H  -0.7167000       3.356500      -3.204700    
 H   -2.584300      -1.362800       4.225300    
 H   -1.766700       5.064300      -1.743800    
 H   -4.967200      -1.324600       3.540200    
 H   0.9538000      -4.031400      -2.105800    
 H  -0.4498000      -4.790900      -1.328000    
 H  -0.4177000      -4.575900      -3.086700    


%chk=000042551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042551

0 1
O -0.472466 -2.230163 -0.624999
N 2.756012 0.371225 0.658319
N -1.588080 -1.041536 -2.212317
N -1.361933 -2.384437 -2.714398
C 3.885606 1.183218 0.106476
C 4.728311 -1.139021 0.819909
C 3.184285 -1.041364 0.917266
C 4.540089 0.484575 -1.123585
C 4.940278 1.352279 1.226555
C 5.157392 -0.874499 -0.650300
C 5.362219 -0.064466 1.741411
C 1.482312 0.483602 -0.075258
C 0.289389 0.095591 0.824891
C -1.089393 0.094349 0.076261
C -1.344349 1.521780 -0.478679
C -2.265527 -0.319159 1.019879
C -1.056484 -0.980997 -0.993638
C -1.714551 2.525607 0.455698
C -3.577833 -0.352982 0.478886
C -1.141150 1.899268 -1.829182
C -2.081438 -0.661320 2.380321
C -1.872143 3.868977 0.057477
C -4.679789 -0.713831 1.279827
C -1.303319 3.246052 -2.229649
C -3.187343 -1.022689 3.186304
C -0.712309 -3.042732 -1.758324
C -1.665437 4.237851 -1.292302
C -4.489466 -1.050734 2.641462
C -0.237769 -4.452724 -1.744749
H 3.478724 2.169710 -0.182856
H 5.046408 -2.151153 1.135536
H 2.727652 -1.733751 0.167322
H 2.840546 -1.372220 1.918531
H 5.310453 1.143355 -1.566993
H 3.772413 0.320075 -1.903659
H 4.506620 1.953164 2.045027
H 5.810566 1.907790 0.826899
H 4.818273 -1.706663 -1.296395
H 6.262267 -0.850386 -0.709684
H 6.463106 -0.175008 1.744280
H 5.017584 -0.218879 2.781124
H 1.468822 -0.158510 -0.996808
H 1.361535 1.529560 -0.410422
H 0.466681 -0.907890 1.251019
H 0.240199 0.814879 1.661875
H -1.892217 2.249579 1.501721
H -3.729959 -0.090858 -0.574859
H -0.891352 1.143317 -2.577266
H -1.083030 -0.649302 2.826751
H -2.160846 4.624517 0.796916
H -5.685035 -0.732154 0.844239
H -1.150821 3.515006 -3.281094
H -3.027240 -1.281715 4.239150
H -1.791883 5.279621 -1.607791
H -5.344561 -1.331128 3.266655
H 0.858105 -4.503511 -1.617659
H -0.699076 -5.017090 -0.915255
H -0.510049 -4.931275 -2.697466


