%chk=000071442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071442

0 1
 O    1.297700      0.9391000      -2.697000    
 N   -4.856000     -0.2610000      0.8417000    
 N   -2.270700     -0.3821000     -0.3676000    
 N    2.048800      -1.213900      -2.667000    
 C   -4.696700     -0.3153000     -0.6120000    
 C   -5.962600      0.3902000      -1.064800    
 C   -3.380900      0.3414000      -1.013700    
 C   -6.215900     -0.7142000       1.096700    
 C   -7.007700     -5.7500001E-02 -3.7000000E-02
 C   -3.802800      -1.013700       1.506500    
 C   -2.439400     -0.4278000       1.096800    
 C  -0.9861000      0.2168000     -0.7234000    
 C   0.1657000     -0.6384000     -0.1638000    
 C    1.620900     -0.1067000     -0.4841000    
 C    1.919100       1.282800      0.1476000    
 C    2.700300      -1.089200      6.1099999E-02
 C    1.656700     -4.2900000E-02  -2.046900    
 C    2.758300       2.119500     -0.5283000    
 C    4.005900     -0.8041000     -0.2065000    
 C    1.323400       1.578700       1.338700    
 C    2.268900      -2.170300      0.7702000    
 C    3.025900       3.365700      3.8500000E-02
 C    4.972000      -1.684000      0.2815000    
 C    1.590900       2.824900       1.905400    
 C    3.235200      -3.049900       1.258200    
 C    2.442100       3.718400       1.255300    
 C    4.586800      -2.806700       1.014000    
 H   -4.717400      -1.356000     -0.9703000    
 H   -6.250000      0.1127000      -2.083700    
 H   -5.851700       1.481100      -1.030100    
 H   -3.278000      0.2912000      -2.104400    
 H   -3.372300       1.402600     -0.7302000    
 H   -6.578700     -0.3962000       2.078800    
 H   -6.303700      -1.805600       1.027800    
 H   -7.577700      0.8069000      0.3209000    
 H   -7.713400     -0.7698000     -0.4777000    
 H   -3.846400      -2.079200       1.245000    
 H   -3.913600     -0.9348000       2.594000    
 H   -2.326900      0.5748000       1.531300    
 H   -1.707100      -1.084000       1.573200    
 H  -0.9223000       1.250600     -0.3657000    
 H  -0.9199000      0.2437000      -1.815500    
 H   6.7299999E-02 -0.7513000      0.9152000    
 H   4.2199999E-02  -1.639300     -0.6051000    
 H    3.243100       1.879800      -1.467000    
 H    4.340300      3.5500001E-02 -0.8005000    
 H   0.6797000      0.9076000       1.890800    
 H    1.245100      -2.427500      0.9994000    
 H    2.271400      -2.068400      -2.168600    
 H    2.086800      -1.268700      -3.679600    
 H    3.691700       4.060400     -0.4654000    
 H    6.024200      -1.499700      8.4200002E-02
 H    1.141700       3.097600       2.856000    
 H    2.936500      -3.925200       1.828000    
 H    2.652200       4.687800       1.697600    
 H    5.339000      -3.492800       1.392100    


%chk=000071442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071442

0 1
O 0.948521 0.468555 -2.820964
N -5.002909 -0.241993 0.819055
N -2.291705 -0.193749 -0.113123
N 2.365052 -1.336955 -2.649431
C -4.700242 -0.232577 -0.636743
C -5.975917 0.399310 -1.235651
C -3.371157 0.494167 -0.874006
C -6.388043 -0.748141 0.925697
C -7.119708 -0.034241 -0.251342
C -3.958034 -0.925312 1.597463
C -2.607489 -0.226880 1.339414
C -0.949811 0.373498 -0.407577
C 0.166304 -0.640918 -0.075972
C 1.622797 -0.223812 -0.521576
C 1.916802 1.212823 -0.006378
C 2.679865 -1.193252 0.073586
C 1.631318 -0.311862 -2.087184
C 2.123655 2.336663 -0.843360
C 4.049531 -0.806424 0.088888
C 1.982836 1.401713 1.401490
C 2.349606 -2.487362 0.555508
C 2.393413 3.609650 -0.286224
C 5.049491 -1.674959 0.573414
C 2.243321 2.670331 1.957689
C 3.350140 -3.359476 1.046603
C 2.452645 3.786234 1.113021
C 4.704358 -2.959478 1.057418
H -4.583523 -1.283019 -1.014314
H -6.156026 0.055677 -2.269329
H -5.877071 1.499737 -1.252910
H -3.108223 0.474009 -1.947791
H -3.488988 1.562419 -0.560351
H -6.821194 -0.509155 1.913895
H -6.434778 -1.860210 0.789448
H -7.672153 0.849516 0.110471
H -7.847398 -0.709907 -0.734255
H -3.870181 -2.007010 1.316705
H -4.202993 -0.867816 2.675120
H -2.655111 0.807712 1.765455
H -1.809849 -0.777958 1.870060
H -0.774541 1.327299 0.146126
H -0.903022 0.611535 -1.483581
H 0.199067 -0.817227 1.016445
H -0.111336 -1.599323 -0.553991
H 2.047569 2.228694 -1.928022
H 4.325655 0.191104 -0.270631
H 1.843534 0.541862 2.068148
H 1.309306 -2.825269 0.555673
H 2.939655 -1.962576 -2.086818
H 2.330392 -1.444305 -3.663240
H 2.550153 4.465022 -0.953497
H 6.096007 -1.349910 0.577018
H 2.287546 2.787919 3.046507
H 3.068039 -4.350892 1.418981
H 2.658143 4.774238 1.540200
H 5.478578 -3.634114 1.439362


