%chk=000057552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057552

0 1
 O   0.7639000      0.6751000      -1.492900    
 N    4.401700     -0.1635000      0.5223000    
 N  -0.1878000       1.417000      0.4895000    
 C    5.483300     -0.7320000     -0.2692000    
 C    4.658000      -1.591700      0.6431000    
 C    3.228900      7.8800000E-02 -0.3085000    
 C    2.090300      0.6458000      0.5330000    
 C   0.8390000      0.9018000     -0.2882000    
 C   -1.479500       1.744000     -6.5399997E-02
 C   -2.425600      0.5795000     -1.0800000E-02
 C   -2.481400     -0.3117000      -1.076200    
 C   -3.236500      0.4041000       1.104200    
 C   -3.360700      -1.393400      -1.025600    
 C   -4.115800     -0.6776000       1.154900    
 C   -4.177900      -1.576300      8.9800000E-02
 H    6.483900     -0.4714000      4.9100000E-02
 H    5.347600     -0.8361000      -1.337900    
 H    3.971000      -2.302900      0.2040000    
 H    5.104000      -1.907800       1.577500    
 H    3.486500      0.8212000      -1.076600    
 H    2.872700     -0.8050000     -0.8565000    
 H    2.395100       1.591900      0.9974000    
 H    1.828900     -5.5599999E-02   1.335300    
 H  -4.2700000E-02   1.556000       1.485500    
 H   -1.359500       2.091400      -1.098600    
 H   -1.877700       2.589800      0.5067000    
 H   -1.854100     -0.1789000      -1.952800    
 H   -3.195200       1.096900       1.940200    
 H   -3.409800      -2.092600      -1.855200    
 H   -4.751800     -0.8204000       2.023600    
 H   -4.862500      -2.418500      0.1291000    


%chk=000057552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057552

0 1
O 1.004725 0.622616 -1.708752
N 4.606660 -0.214653 0.617818
N -0.130758 0.697311 0.323225
C 5.965408 -0.035789 -0.011972
C 5.225209 -1.357706 -0.155158
C 3.484253 0.482021 -0.070595
C 2.158603 -0.221755 0.288215
C 0.976829 0.400624 -0.457265
C -1.365672 1.271800 -0.238875
C -2.601821 0.427978 0.053518
C -2.617585 -0.957466 -0.253033
C -3.760757 1.018235 0.614434
C -3.769750 -1.734155 -0.004662
C -4.917521 0.243021 0.862426
C -4.924903 -1.136057 0.554145
H 6.800575 0.055100 0.689256
H 6.042268 0.592651 -0.910564
H 4.812187 -1.594224 -1.146274
H 5.523068 -2.223683 0.444052
H 3.467927 1.527231 0.290938
H 3.588096 0.505407 -1.179968
H 2.016599 -0.202291 1.384327
H 2.232306 -1.284586 -0.015052
H -0.104039 0.489327 1.322981
H -1.180038 1.346782 -1.327439
H -1.513253 2.300496 0.144307
H -1.725066 -1.420323 -0.690677
H -3.759645 2.088460 0.857542
H -3.771147 -2.802375 -0.249565
H -5.807114 0.712925 1.296854
H -5.819347 -1.739022 0.746613


