%chk=000031942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031942

0 1
 O  -0.6137000      0.9636000      -1.771200    
 N   -2.620000     -0.3761000     -0.4029000    
 C    1.096700      4.3699998E-02 -0.3981000    
 C    3.391400       1.094000     -0.4575000    
 C    3.153800      -1.397400     -0.1451000    
 C    2.480500      0.1759000       1.708300    
 C    1.962900       1.154000      -1.026000    
 C    1.726100      -1.327600     -0.7148000    
 C    1.055700      0.2393000       1.130100    
 C    4.004500     -0.2807000     -0.7748000    
 C    3.335700       1.283500       1.068500    
 C    3.099300      -1.193900       1.379100    
 C  -0.3010000      0.1086000     -0.9436000    
 C   -1.266700     -0.9311000     -0.4122000    
 C   -2.680600      0.8163000      0.4540000    
 C   -3.589200      -1.392000      3.1099999E-02
 C   -4.077900       1.438400      0.4361000    
 C   -5.016000     -0.8423000     -3.9999999E-04
 C   -5.141500      0.4237000      0.8396000    
 H    4.002500       1.884700     -0.9068000    
 H    3.596600      -2.373300     -0.3731000    
 H    2.446800      0.3163000       2.794500    
 H    1.530800       2.143300     -0.8250000    
 H    1.998700       1.045900      -2.118300    
 H    1.747000      -1.495200      -1.799600    
 H    1.133400      -2.147100     -0.2898000    
 H   0.4618000     -0.5219000       1.644000    
 H   0.5950000       1.204900       1.377700    
 H    4.064000     -0.4226000      -1.860900    
 H    5.030700     -0.3304000     -0.3904000    
 H    4.350000       1.261000       1.485500    
 H    2.914400       2.267400       1.308500    
 H    2.508000      -1.993200       1.842700    
 H    4.109500      -1.259200       1.801500    
 H   -1.216300      -1.781000      -1.103700    
 H   -1.002300      -1.298200      0.5793000    
 H   -1.989800       1.601500      0.1322000    
 H   -2.410600      0.5614000       1.487900    
 H   -3.355900      -1.748900       1.043000    
 H   -3.542700      -2.259200     -0.6388000    
 H   -4.297900       1.819800     -0.5692000    
 H   -4.110500       2.296000       1.117800    
 H   -5.713800      -1.602000      0.3696000    
 H   -5.302300     -0.6228000      -1.037000    
 H   -5.023700      0.1721000       1.900700    
 H   -6.140300      0.8574000      0.7199000    


%chk=000031942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031942

0 1
O -0.653840 1.694509 -0.790165
N -2.724069 -0.184071 -0.181340
C 1.198337 0.241066 -0.128222
C 3.590321 0.897130 -0.731027
C 3.062031 -1.504062 -0.122391
C 3.023835 0.296302 1.664416
C 2.088853 1.154569 -1.021466
C 1.556152 -1.251187 -0.408885
C 1.519533 0.556943 1.377655
C 3.929549 -0.588753 -1.026545
C 3.891417 1.211124 0.759514
C 3.359341 -1.190825 1.369374
C -0.296162 0.563826 -0.366733
C -1.311637 -0.539572 -0.021491
C -3.187288 0.860109 0.768915
C -3.595019 -1.386833 -0.145697
C -4.635423 1.284814 0.452778
C -5.053151 -1.026132 -0.493017
C -5.586771 0.066569 0.461176
H 4.201786 1.555266 -1.379256
H 3.295063 -2.567008 -0.331688
H 3.227946 0.521294 2.730211
H 1.827175 2.212185 -0.836777
H 1.864945 0.956050 -2.088332
H 1.328575 -1.498284 -1.465805
H 0.950848 -1.926086 0.227688
H 0.896466 -0.075026 2.042427
H 1.267858 1.614513 1.589854
H 3.738066 -0.817007 -2.094445
H 5.004910 -0.781032 -0.838413
H 4.966132 1.045903 0.975155
H 3.673852 2.276461 0.974331
H 2.760030 -1.854459 2.025320
H 4.427034 -1.387344 1.591608
H -1.091637 -1.394387 -0.692529
H -1.063794 -0.907233 1.014318
H -2.514554 1.728118 0.681007
H -3.136372 0.481175 1.826559
H -3.571459 -1.875368 0.866781
H -3.205032 -2.123382 -0.874528
H -4.649872 1.761570 -0.545809
H -4.963320 2.041708 1.191164
H -5.680311 -1.937098 -0.438403
H -5.085848 -0.654686 -1.535249
H -5.651000 -0.344104 1.490704
H -6.610395 0.369336 0.169658


