%chk=000089763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089763

0 1
 O    1.137200       1.286800      -2.143000    
 O    2.654500       3.586000       1.959600    
 O   -4.975100     -0.3070000     -0.5505000    
 N    1.603200      0.3912000      0.4830000    
 N   -3.129200     -0.5371000      0.8980000    
 N    3.898000      -3.883900      0.5346000    
 C   0.3080000      0.3871000     -7.9499997E-02
 C    2.346200       1.629100      0.6013000    
 C    2.209000     -0.8444000      0.9353000    
 C   9.9399999E-02  0.8352000      -1.383800    
 C  -0.7680000     -7.0400000E-02  0.6812000    
 C    1.893600       2.391100       1.835200    
 C    2.795700      -1.623400     -0.2371000    
 C   -2.052600     -7.9599999E-02  0.1376000    
 C   -1.185100      0.8259000      -1.927400    
 C   -2.261200      0.3686000      -1.166700    
 C    3.411500      -2.886600      0.1954000    
 C   -4.477600     -0.6203000      0.5262000    
 C    1.824100      0.3239000      -2.939300    
 C   -5.331800      -1.172000       1.640000    
 H    3.423100       1.428400      0.6758000    
 H    2.250000       2.273500     -0.2785000    
 H    3.001100     -0.6309000       1.665700    
 H    1.484200      -1.466700       1.475300    
 H  -0.6126000     -0.4091000       1.703200    
 H   0.8337000       2.661300       1.782400    
 H    2.044200       1.797000       2.742600    
 H    3.548400      -1.014100     -0.7497000    
 H    2.012000      -1.852200     -0.9670000    
 H   -1.353700       1.174400      -2.942800    
 H   -3.224900      0.3920000      -1.655600    
 H   -2.895800     -0.8467000       1.839200    
 H    2.490500       4.121800       1.164900    
 H    1.812300      0.6671000      -3.977900    
 H    1.363900     -0.6688000      -2.896000    
 H    2.863700      0.2672000      -2.607900    
 H   -5.008900      -2.187800       1.884400    
 H   -6.379000      -1.197300       1.326300    
 H   -5.242600     -0.5367000       2.525700    


%chk=000089763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089763

0 1
O 1.006191 1.869984 -2.272076
O 3.066782 3.676107 1.561748
O -4.956713 -0.353926 -0.349611
N 1.769768 0.379687 0.134114
N -2.946824 -0.839774 0.767389
N 2.621695 -4.065660 2.070747
C 0.409910 0.461642 -0.292067
C 2.563895 1.635400 0.231184
C 2.164860 -0.691029 1.064428
C 0.040918 1.202882 -1.465127
C -0.634346 -0.206703 0.403705
C 2.232834 2.468147 1.495113
C 2.115600 -2.083397 0.363604
C -1.990183 -0.121340 -0.008423
C -1.309519 1.314109 -1.841719
C -2.342155 0.664954 -1.134785
C 2.395780 -3.186431 1.295606
C -4.331398 -0.932255 0.585358
C 1.822450 0.954026 -3.099619
C -5.027293 -1.810299 1.627108
H 3.639514 1.379013 0.242323
H 2.368099 2.242388 -0.669765
H 3.201131 -0.492171 1.387398
H 1.550492 -0.723512 1.990502
H -0.398846 -0.778645 1.309441
H 1.151124 2.718004 1.512059
H 2.481579 1.914695 2.416713
H 2.849897 -2.102188 -0.462353
H 1.116818 -2.238083 -0.085586
H -1.538577 1.910630 -2.730969
H -3.384880 0.740358 -1.443412
H -2.567126 -1.360521 1.561948
H 2.819656 4.280823 0.816814
H 2.511520 1.598758 -3.666595
H 1.174093 0.389724 -3.796246
H 2.391658 0.249957 -2.463106
H -4.675652 -2.857247 1.567558
H -6.108983 -1.791623 1.432444
H -4.844368 -1.443882 2.654356


