%chk=000060314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060314

0 1
 O  -0.1434000     -0.1119000       1.482400    
 N   -1.245800     -0.6788000     -0.4803000    
 N    2.227300     -4.7600001E-02  9.8499998E-02
 C   -2.595000     -0.3801000     -3.0300001E-02
 C   -2.711500       1.117400      0.3420000    
 C   -3.565500     -0.6793000      -1.183900    
 C   -2.943500      -1.284800       1.159600    
 C    1.143700     -0.8735000     -0.4147000    
 C  -0.1311000     -0.5170000      0.3222000    
 C   -2.379500       2.089600     -0.7850000    
 C    1.935100       1.373500     -0.1028000    
 C    3.495400     -0.3995000     -0.5448000    
 C    3.059600       2.245800      0.4291000    
 C    3.854300      -1.853900     -0.2920000    
 H   -2.070400       1.356200       1.197900    
 H   -3.735800       1.324700      0.6793000    
 H   -1.124600      -1.032400      -1.425300    
 H   -3.284700     -0.1635000      -2.108500    
 H   -3.570100      -1.750700      -1.419200    
 H   -4.591600     -0.3926000     -0.9285000    
 H   -2.780200      -2.341300      0.9169000    
 H   -2.348600      -1.056600       2.049100    
 H   -3.996000      -1.166200       1.442300    
 H    1.017800     -0.7465000      -1.496900    
 H    1.295300      -1.938000     -0.2068000    
 H   -1.374300       1.923500      -1.183200    
 H   -3.097800       2.021000      -1.606600    
 H   -2.419100       3.117100     -0.4077000    
 H    1.031200       1.686600      0.4284000    
 H    1.773600       1.602800      -1.164400    
 H    4.323500      0.1758000     -0.1193000    
 H    3.475500     -0.2039000      -1.624400    
 H    3.365100       1.947400       1.437800    
 H    3.935800       2.250200     -0.2265000    
 H    2.716600       3.285200      0.4893000    
 H    3.764400      -2.115700      0.7680000    
 H    3.243100      -2.544000     -0.8815000    
 H    4.895500      -2.031600     -0.5847000    


%chk=000060314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060314

0 1
O -0.150520 -0.289080 1.493492
N -1.270358 -0.570717 -0.539289
N 2.298052 -0.046938 -0.171019
C -2.673916 -0.360421 -0.062132
C -2.828105 1.057223 0.577931
C -3.587867 -0.520095 -1.301112
C -3.028661 -1.441232 0.993465
C 1.160316 -0.909780 -0.515562
C -0.133935 -0.543890 0.252290
C -2.464902 2.242489 -0.339510
C 2.080654 1.372242 -0.553955
C 3.598029 -0.598006 -0.627962
C 2.966045 2.353074 0.237650
C 4.042125 -1.847754 0.157074
H -2.191042 1.083676 1.480166
H -3.879704 1.152190 0.915365
H -1.140732 -0.743190 -1.539079
H -3.328297 0.199767 -2.099198
H -3.515919 -1.543812 -1.714557
H -4.639646 -0.344114 -1.016458
H -2.949015 -2.453691 0.557486
H -2.344142 -1.371750 1.854715
H -4.064476 -1.295615 1.351328
H 0.948548 -0.920676 -1.622398
H 1.408614 -1.949807 -0.233451
H -1.427817 2.149780 -0.711917
H -3.137346 2.321940 -1.213857
H -2.534142 3.193893 0.218467
H 1.024376 1.614514 -0.333869
H 2.225836 1.528126 -1.655603
H 4.358645 0.189128 -0.482723
H 3.584470 -0.826838 -1.726955
H 2.803396 2.206798 1.318933
H 4.042163 2.216240 0.027243
H 2.707634 3.396164 -0.023798
H 4.041107 -1.630972 1.239065
H 3.381644 -2.716221 -0.018730
H 5.063189 -2.145245 -0.146038


