%chk=000077096.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077096

0 1
 N  -0.8521000      -1.003400     -0.5025000    
 N    3.240800     -3.3300001E-02 -0.8787000    
 N    2.802600      -1.698600       2.062300    
 C    2.061800     -0.6070000     -0.2235000    
 C    1.035300      0.5132000      2.3300000E-02
 C    1.444600      -1.668600      -1.151500    
 C  -0.3294000     -3.1099999E-02  0.4663000    
 C   6.5899998E-02  -2.137900     -0.6680000    
 C   -2.176500      -1.471500     -9.4700001E-02
 C    3.843100      0.9912000     -4.2100001E-02
 C    2.476900      -1.218700       1.057400    
 C   -3.166600     -0.3410000     -6.0000003E-04
 C    5.089900       1.559500     -0.7150000    
 C   -3.317000      0.3373000       1.200900    
 C   -3.914600      7.1000000E-03  -1.116700    
 C    5.752100       2.620000      0.1510000    
 C   -4.234000       1.384700       1.288200    
 C   -4.831500       1.054700      -1.029300    
 C   -4.991200       1.743400      0.1732000    
 H   0.8921000       1.104100     -0.8929000    
 H    1.356400       1.206500      0.8107000    
 H    2.106200      -2.540300      -1.244700    
 H    1.329800      -1.255300      -2.164000    
 H  -0.2561000     -0.4663000       1.471300    
 H  -0.9619000      0.8583000      0.5290000    
 H  -0.3352000      -2.830100      -1.418700    
 H   0.1664000      -2.703000      0.2677000    
 H    3.920600     -0.7650000      -1.085000    
 H   -2.134600      -2.005000      0.8654000    
 H   -2.554700      -2.202500     -0.8221000    
 H    3.171000       1.841200      0.1103000    
 H    4.143100      0.6125000      0.9410000    
 H    5.813500      0.7580000     -0.9081000    
 H    4.827900       2.000000      -1.684800    
 H   -2.746600      5.9700001E-02   2.082900    
 H   -3.796800     -0.5211000      -2.058700    
 H    5.070700       3.456000      0.3390000    
 H    6.060800       2.203900       1.115300    
 H    6.642500       3.014400     -0.3485000    
 H   -4.360900       1.918700       2.225400    
 H   -5.420900       1.334500      -1.897600    
 H   -5.705600       2.558600      0.2413000    


%chk=000077096-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077096

0 1
N -0.875192 -0.965509 -0.186840
N 3.227063 0.075310 -0.844390
N 2.950030 -1.730818 2.106145
C 2.063155 -0.502902 -0.129004
C 1.021379 0.598276 0.227687
C 1.374594 -1.539712 -1.065906
C -0.286724 -0.001250 0.774075
C 0.059350 -2.079042 -0.475455
C -2.215143 -1.440636 0.234093
C 4.061962 1.073543 -0.129009
C 2.505690 -1.198516 1.132271
C -3.285111 -0.355030 0.151934
C 5.261935 1.486269 -1.004102
C -4.305895 -0.270033 1.130233
C -3.299978 0.556534 -0.934269
C 6.156372 2.537128 -0.312558
C -5.328712 0.701113 1.023593
C -4.316732 1.530259 -1.041126
C -5.337635 1.604751 -0.063536
H 0.820058 1.155569 -0.705348
H 1.435819 1.300883 0.972773
H 2.065036 -2.380524 -1.272113
H 1.168059 -1.014817 -2.016080
H -0.094025 -0.486477 1.765957
H -1.014861 0.811180 0.944179
H -0.415452 -2.755994 -1.209881
H 0.279541 -2.685597 0.440740
H 3.811811 -0.674489 -1.244540
H -2.203140 -1.869152 1.268601
H -2.491732 -2.271932 -0.446030
H 3.444435 1.967044 0.079543
H 4.434867 0.693219 0.852579
H 5.867519 0.586855 -1.242636
H 4.881398 1.878645 -1.966418
H -4.299417 -0.963817 1.980747
H -2.497011 0.495061 -1.677478
H 5.585731 3.456758 -0.083982
H 6.566225 2.149539 0.638790
H 7.007775 2.821087 -0.956681
H -6.111569 0.755375 1.788774
H -4.315978 2.229878 -1.885074
H -6.127697 2.359770 -0.146059


