%chk=000157664.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157664

0 1
 O   -3.337900     -0.7839000       1.507300    
 O    1.654300      -1.521300      0.4751000    
 N  -0.9024000      0.7869000      0.2975000    
 N   -1.382600       1.583500       1.244100    
 N  -0.2159000       2.724700     -0.3587000    
 C   -3.537100     -0.5484000     -0.8918000    
 C   -2.653500      -1.077400      0.2875000    
 C   -1.149000     -0.6600000      0.3663000    
 C  -0.4515000      -1.293300       1.597500    
 C   -4.989000      -1.057900     -0.8455000    
 C   -3.601000      0.9966000     -0.7905000    
 C   -2.919400     -0.9022000      -2.255700    
 C    1.047700      -1.009700       1.655100    
 C  -0.2152000       1.444600     -0.6502000    
 C  -0.9376000       2.760800      0.8000000    
 C    2.786200     -0.8853000      3.7099998E-02
 C    3.629500     -0.2705000      0.9558000    
 C    3.079600     -0.8601000      -1.321600    
 C    4.781300      0.3778000      0.5099000    
 C    4.231300     -0.2120000      -1.767600    
 C    5.082200      0.4071000     -0.8517000    
 H   -2.651000      -2.174400      0.2121000    
 H  -0.6667000      -1.070200     -0.5310000    
 H  -0.9112000     -0.9354000       2.526400    
 H  -0.6027000      -2.379400       1.556300    
 H   -5.521800     -0.6950000      3.9999999E-02
 H   -5.012300      -2.153100     -0.8277000    
 H   -5.557800     -0.7303000      -1.723500    
 H   -3.787000       1.350800      0.2271000    
 H   -2.741000       1.497700      -1.231000    
 H   -4.447400       1.366300      -1.386300    
 H   -1.923500     -0.4686000      -2.386300    
 H   -2.828700      -1.988200      -2.368500    
 H   -3.541800     -0.5337000      -3.079300    
 H    1.203400      6.8999998E-02   1.776800    
 H    1.474800      -1.524500       2.523700    
 H   -4.092600      -1.391800       1.581600    
 H   0.2542000      0.9823000      -1.506900    
 H   -1.145900       3.673800       1.337500    
 H    3.447600     -0.2956000       2.025800    
 H    2.418500      -1.339600      -2.037900    
 H    5.447700      0.8542000       1.223100    
 H    4.465600     -0.1891000      -2.827800    
 H    5.979700      0.9105000      -1.198900    


%chk=000157664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157664

0 1
O -3.200645 -1.030903 1.533070
O 1.617140 -1.052206 0.142864
N -1.207580 1.085531 0.408284
N -1.634529 1.740579 1.569552
N -0.858258 3.267588 -0.003784
C -3.637456 -0.508208 -0.901908
C -2.629659 -1.043182 0.179082
C -1.225703 -0.387556 0.282419
C -0.417158 -1.021038 1.441052
C -4.849295 -1.488862 -0.929756
C -4.168473 0.914548 -0.581160
C -2.960073 -0.538682 -2.297674
C 1.052722 -0.605235 1.433704
C -0.740915 2.013413 -0.503106
C -1.408158 3.048214 1.256540
C 2.980437 -0.811789 -0.103150
C 3.846074 -0.135474 0.792224
C 3.469356 -1.297747 -1.341809
C 5.202050 0.049813 0.433935
C 4.822394 -1.104620 -1.683145
C 5.698721 -0.429283 -0.797734
H -2.407109 -2.099639 -0.111075
H -0.695941 -0.603251 -0.662833
H -0.884044 -0.729569 2.396451
H -0.484921 -2.120689 1.354776
H -5.465126 -1.417345 -0.011394
H -4.523844 -2.540010 -1.055715
H -5.517087 -1.238817 -1.773694
H -4.429570 1.000438 0.488304
H -3.430393 1.699786 -0.813356
H -5.073888 1.121580 -1.181794
H -2.131230 0.187438 -2.369208
H -2.562485 -1.544403 -2.537303
H -3.694274 -0.273144 -3.080160
H 1.163148 0.493978 1.528080
H 1.597549 -1.093122 2.266457
H -4.064932 -1.512829 1.519081
H -0.324915 1.753008 -1.472888
H -1.638949 3.847815 1.955234
H 3.483565 0.248324 1.750123
H 2.779684 -1.820672 -2.012018
H 5.869442 0.574992 1.126578
H 5.194702 -1.482736 -2.641905
H 6.749726 -0.280334 -1.066042


