%chk=000001974.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001974

0 1
 O   -2.451800       2.337600     -0.3071000    
 O   -5.369200      -3.197700      0.8875000    
 O   -3.407900      -2.671300     -0.1335000    
 N   -3.043900      8.4299996E-02 -1.6200000E-02
 C    6.414600     -0.4348000     -0.2926000    
 C    7.873900     -0.8236000     -3.5599999E-02
 C    5.798600      0.3742000      0.8544000    
 C    8.438500      -1.649900      -1.191800    
 C    4.340600      0.7029000      0.6537000    
 C    3.374400     -0.1753000       1.120500    
 C    3.990300       1.877300      4.9000001E-03
 C    9.874700      -2.071800     -0.9254000    
 C    1.659400       1.306000      0.2832000    
 C    2.025600      0.1281000      0.9342000    
 C    2.641600       2.180800     -0.1813000    
 C   0.2531000       1.622400      8.9100003E-02
 C  -0.7608000      0.7287000      0.1329000    
 C   -4.451500      0.1030000     -0.1740000    
 C   -5.183100      -1.068700     -6.8599999E-02
 C   -2.173500       1.163900     -9.1600001E-02
 C   -5.067800       1.316600     -0.4345000    
 C   -6.568200      -1.026100     -0.2278000    
 C   -6.453000       1.359300     -0.5935000    
 C   -7.203100      0.1879000     -0.4903000    
 C   -4.551300      -2.353900      0.2033000    
 H    6.349600      0.1441000      -1.222700    
 H    5.823100      -1.345600     -0.4523000    
 H    8.476400      8.2400002E-02  0.1014000    
 H    7.939000      -1.400100      0.8951000    
 H    6.365100       1.304600      0.9928000    
 H    5.914500     -0.1775000       1.796800    
 H    8.399300      -1.067100      -2.119500    
 H    7.824900      -2.545300      -1.344700    
 H    3.650400      -1.093800       1.630500    
 H    4.748200       2.563300     -0.3625000    
 H    10.52240      -1.198800     -0.7973000    
 H    10.25890      -2.659700      -1.764900    
 H    9.942100      -2.685800     -2.1600001E-02
 H    1.297100     -0.5728000       1.330800    
 H    2.375400       3.102800     -0.6925000    
 H   3.4899998E-02   2.668300     -0.1159000    
 H  -0.5909000     -0.3281000      0.3066000    
 H   -2.640600     -0.8289000      0.1759000    
 H   -4.567800       2.267900     -0.5309000    
 H   -7.180200      -1.922200     -0.1673000    
 H   -6.949000       2.303700     -0.7988000    
 H   -8.281300      0.2209000     -0.6175000    
 H   -4.937000      -4.060000       1.066900    


%chk=000001974-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001974

0 1
O -2.443353 2.230385 -0.675673
O -5.799476 -3.177225 0.899064
O -3.625757 -2.403606 0.858857
N -3.210553 0.097957 0.005427
C 6.566922 -0.454226 -0.273514
C 8.059224 -0.776967 -0.039878
C 5.902309 0.238350 0.951256
C 8.725870 -1.470534 -1.250045
C 4.430170 0.536028 0.723919
C 3.440422 -0.456320 0.969330
C 4.001140 1.790987 0.220303
C 10.215772 -1.797146 -1.009870
C 1.646139 1.051223 0.213187
C 2.079174 -0.209381 0.721330
C 2.638216 2.044061 -0.030549
C 0.242453 1.373731 -0.062948
C -0.850051 0.566332 0.104331
C -4.596932 0.207062 -0.188852
C -5.438399 -0.925816 0.124502
C -2.210299 1.061791 -0.228425
C -5.207475 1.396420 -0.684653
C -6.845452 -0.831372 -0.067482
C -6.600699 1.455060 -0.862276
C -7.431047 0.346059 -0.557027
C -4.858940 -2.176669 0.640662
H 6.459432 0.199706 -1.162327
H 6.015422 -1.387693 -0.505902
H 8.607842 0.159666 0.193604
H 8.159972 -1.426733 0.854950
H 6.451250 1.175334 1.168851
H 6.025155 -0.418891 1.834853
H 8.627324 -0.820049 -2.142864
H 8.174009 -2.403754 -1.483794
H 3.750135 -1.431426 1.365666
H 4.743439 2.575228 0.028064
H 10.795732 -0.877272 -0.805773
H 10.668109 -2.293559 -1.887954
H 10.339012 -2.470305 -0.140422
H 1.345592 -0.996932 0.926936
H 2.326386 3.022372 -0.416668
H 0.033693 2.382194 -0.450741
H -0.757334 -0.459201 0.484489
H -2.914953 -0.826578 0.370539
H -4.566088 2.247785 -0.918079
H -7.458863 -1.702402 0.177369
H -7.046226 2.380292 -1.244869
H -8.514260 0.406137 -0.700685
H -5.319456 -3.977904 1.242081


