%chk=000094561.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094561

0 1
 O  -0.6307000      -2.225800     -0.4261000    
 N   0.2807000     -7.0900001E-02  0.2529000    
 N    1.303000     -0.5008000     -0.3114000    
 C  -0.9052000     -0.8565000     -0.1209000    
 C   -1.535500     -0.2157000      -1.365800    
 C   -1.884900     -0.8424000       1.060000    
 C   -2.130000       1.164900      -1.092100    
 C   -2.477700      0.5398000       1.329100    
 C   -3.112000       1.132400      7.4800000E-02
 C    2.482100      0.2795000      6.0600001E-02
 C    2.667200      0.1818000       1.574500    
 C    3.686700     -0.3155000     -0.6682000    
 C    2.256300       1.729100     -0.3676000    
 H   -2.325300     -0.8750000      -1.751200    
 H  -0.7965000     -0.1428000      -2.173800    
 H   -1.385800      -1.208100       1.966600    
 H   -2.700900      -1.551500      0.8656000    
 H   -2.640600       1.528300      -1.991200    
 H   -1.326200       1.878800     -0.8754000    
 H   -1.695200       1.214000       1.697900    
 H   -3.230800      0.4671000       2.122000    
 H   -3.467800       2.147200      0.2857000    
 H   -3.990400      0.5378000     -0.2049000    
 H  -8.4600002E-02  -2.571700      0.3003000    
 H    2.727600     -0.8635000       1.899400    
 H    3.591400      0.6818000       1.886500    
 H    1.845500      0.6498000       2.128600    
 H    3.546700     -0.2817000      -1.754800    
 H    3.834600      -1.366200     -0.3935000    
 H    4.606300      0.2293000     -0.4287000    
 H    1.432200       2.203500      0.1774000    
 H    3.152700       2.333000     -0.1857000    
 H    2.021400       1.794100      -1.436500    


%chk=000094561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094561

0 1
O -0.557444 -1.585868 -1.550580
N 0.200764 0.143226 0.025371
N 1.305539 -0.285574 -0.466682
C -0.986933 -0.587953 -0.588787
C -1.858105 0.481056 -1.298644
C -1.757615 -1.277232 0.565217
C -2.524734 1.471264 -0.316412
C -2.431088 -0.277560 1.533683
C -3.331653 0.723789 0.771393
C 2.575813 0.361442 0.042036
C 2.337685 1.445803 1.112184
C 3.423859 -0.809686 0.602559
C 3.251363 0.954972 -1.221936
H -2.630871 -0.080605 -1.858099
H -1.236207 1.009110 -2.045806
H -1.066792 -1.955500 1.100346
H -2.523448 -1.911555 0.078932
H -3.183507 2.159806 -0.880078
H -1.745160 2.087716 0.171411
H -1.652054 0.282855 2.085952
H -3.024662 -0.837230 2.282259
H -3.778612 1.448209 1.479267
H -4.172247 0.176026 0.296181
H 0.451724 -1.506976 -1.559074
H 1.823000 1.029894 1.995423
H 3.309633 1.863496 1.431559
H 1.711593 2.265042 0.719019
H 3.542950 -1.604441 -0.154603
H 2.947090 -1.249617 1.496593
H 4.425938 -0.441809 0.886913
H 2.651938 1.786099 -1.634154
H 4.253201 1.341618 -0.962779
H 3.363341 0.184283 -2.004561


