%chk=000036194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036194

0 1
 O    6.885800      -1.028900     -0.6925000    
 O    5.077000      -2.135600      0.1260000    
 N    2.784100     -0.6634000     -0.4230000    
 C   -3.571800     -0.6303000      0.4211000    
 C   -4.423700      0.4321000      -1.716700    
 C   -5.984500      0.1246000      0.2378000    
 C   -4.141000       1.838900      0.3550000    
 C   -3.477400     -0.6261000      -1.123100    
 C   -5.034000     -0.9328000      0.8260000    
 C   -3.195600      0.7767000      0.9432000    
 C   -5.867800      0.1131000      -1.295400    
 C   -4.033500       1.818800      -1.178700    
 C   -5.586500       1.512800      0.7660000    
 C   -2.629100      -1.684200       1.008100    
 C   -1.199800      -1.415400      0.6307000    
 C  -0.6828000      -1.965900     -0.5352000    
 C  -0.4116000     -0.6183000       1.451400    
 C   0.6437000      -1.715600     -0.8861000    
 C   0.9149000     -0.3677000       1.100600    
 C    1.442700     -0.9164000     -6.8300001E-02
 C    3.642600      0.4286000     -0.1904000    
 C    5.023100      0.2480000     -7.3799998E-02
 C    3.100600       1.711100     -7.5400002E-02
 C    5.856100       1.342900      0.1561000    
 C    3.933700       2.806100      0.1544000    
 C    5.623400      -1.075300     -0.1881000    
 C    5.311400       2.622000      0.2703000    
 H   -4.348100      0.4249000      -2.809900    
 H   -7.015500     -0.1012000      0.5318000    
 H   -3.864800       2.830000      0.7321000    
 H   -3.729400      -1.614900      -1.527100    
 H   -2.471300     -0.3757000      -1.473400    
 H   -5.129900     -0.9465000       1.919400    
 H   -5.327400      -1.929400      0.4716000    
 H   -2.181500       1.066500      0.6513000    
 H   -3.243300      0.8063000       2.039200    
 H   -6.555600      0.8496000      -1.728700    
 H   -6.164100     -0.8679000      -1.686500    
 H   -3.010200       2.066800      -1.486700    
 H   -4.689400       2.585300      -1.609700    
 H   -6.269200       2.274200      0.3693000    
 H   -5.680300       1.539200       1.858500    
 H   -2.914900      -2.688500      0.6672000    
 H   -2.719200      -1.713900       2.102500    
 H   -1.289000      -2.600300      -1.175900    
 H  -0.8038000     -0.1982000       2.373500    
 H    1.043900      -2.150200      -1.798500    
 H    1.520700      0.2371000       1.769700    
 H    3.198800      -1.401000     -0.9852000    
 H    2.034500       1.890900     -0.1848000    
 H    6.931800       1.232000      0.2646000    
 H    3.510400       3.802700      0.2385000    
 H    5.959500       3.474500      0.4511000    
 H    7.282500      -1.923000     -0.7666000    


%chk=000036194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036194

0 1
O 7.198117 -1.079661 -0.761547
O 5.141425 -2.116219 -0.952215
N 2.977024 -0.739405 -0.200570
C -3.652101 -0.542502 0.371018
C -4.651282 0.369350 -1.798561
C -6.135126 0.076249 0.235796
C -4.379719 1.904144 0.201638
C -3.615442 -0.611198 -1.183801
C -5.094329 -0.901922 0.843521
C -3.345207 0.919625 0.811230
C -6.076980 -0.009355 -1.313526
C -4.319678 1.818231 -1.347545
C -5.805367 1.525757 0.685364
C -2.651419 -1.559157 1.017805
C -1.178200 -1.338531 0.710847
C -0.554926 -1.940544 -0.414157
C -0.365425 -0.527763 1.546021
C 0.803009 -1.714346 -0.713763
C 0.998067 -0.301840 1.268911
C 1.598105 -0.879465 0.117277
C 3.812527 0.353613 -0.002371
C 5.239945 0.214479 -0.218129
C 3.318956 1.645631 0.367081
C 6.100217 1.332865 -0.017301
C 4.191995 2.727666 0.546416
C 5.800755 -1.064964 -0.660735
C 5.595468 2.580594 0.371516
H -4.604804 0.304603 -2.904045
H -7.148906 -0.201835 0.586992
H -4.138338 2.936094 0.526294
H -3.835662 -1.648420 -1.514358
H -2.599274 -0.362166 -1.547851
H -5.142149 -0.863885 1.951898
H -5.335331 -1.943328 0.543714
H -2.323772 1.202619 0.490215
H -3.369057 0.985556 1.919539
H -6.825417 0.675474 -1.760686
H -6.330920 -1.036141 -1.646813
H -3.310151 2.105348 -1.704883
H -5.041840 2.529915 -1.796181
H -6.550167 2.232028 0.266064
H -5.865413 1.604396 1.789985
H -2.950412 -2.575365 0.688363
H -2.805970 -1.522715 2.115778
H -1.144061 -2.595683 -1.067044
H -0.804316 -0.080577 2.446468
H 1.257588 -2.180056 -1.596042
H 1.603259 0.281157 1.969513
H 3.457456 -1.560370 -0.613093
H 2.242458 1.797151 0.473129
H 7.171377 1.189513 -0.183509
H 3.776317 3.705694 0.815495
H 6.267193 3.430885 0.522201
H 7.475106 -1.982123 -1.074060


