%chk=000041434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041434

0 1
 O    3.164000       1.018900      0.5706000    
 O    2.300200     -4.1600000E-02  -1.290500    
 N    2.119300       1.936300      0.4574000    
 N   -3.246300      0.3595000      0.7219000    
 N   -3.582800     -0.1969000     -0.3498000    
 C   0.7771000       1.542200      0.5233000    
 C    2.533300       3.239000     -3.4100000E-02
 C  -0.2375000       2.412400      0.1071000    
 C   0.4354000      0.2732000       1.006200    
 C    2.574800       3.268100      -1.527600    
 C   -1.906300      0.7538000      0.6554000    
 C   -1.574300       2.019700      0.1730000    
 C  -0.9015000     -0.1194000       1.072000    
 C    4.261500     -0.8797000     -0.2265000    
 C    3.151800      4.4599999E-02 -0.3960000    
 C    4.126000      -2.211400     -0.6189000    
 C    5.461600     -0.4347000      0.3280000    
 C    5.190400      -3.098100     -0.4567000    
 C    6.526100      -1.321400      0.4901000    
 C    6.390500      -2.653100      9.7700000E-02
 C   -4.929400     -0.5938000     -0.2833000    
 C   -5.928000      0.2810000     -0.7000000    
 C   -5.254100      -1.857800      0.1991000    
 C   -7.264700     -0.1121000     -0.6334000    
 C   -6.590800      -2.250900      0.2656000    
 C   -7.596100      -1.377900     -0.1507000    
 H    1.906300       4.043200      0.3672000    
 H    3.539700       3.455000      0.3473000    
 H  -3.7999999E-02   3.407800     -0.2757000    
 H    1.187300     -0.4229000       1.368000    
 H    3.311200       2.559400      -1.921100    
 H    1.611200       3.024700      -1.984800    
 H    2.864500       4.264100      -1.878600    
 H   -2.350800       2.707000     -0.1531000    
 H   -1.151000      -1.105100       1.456000    
 H    3.196700      -2.575100      -1.049700    
 H    5.600800      0.5998000      0.6308000    
 H    5.084800      -4.135200     -0.7615000    
 H    7.461700     -0.9746000      0.9191000    
 H    7.219500      -3.343400      0.2235000    
 H   -5.678600       1.268900      -1.078000    
 H   -4.477200      -2.544200      0.5249000    
 H   -8.047400      0.5675000     -0.9576000    
 H   -6.849000      -3.236700      0.6414000    
 H   -8.636800      -1.684100     -9.8899998E-02


%chk=000041434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041434

0 1
O 3.039746 0.593253 0.045037
O 4.244388 0.746310 -1.979877
N 2.041264 1.486271 -0.566193
N -3.251092 -0.407849 0.210729
N -4.243174 0.443459 0.079949
C 0.730788 1.037942 -0.330132
C 2.444060 2.915965 -0.550082
C -0.363645 1.956449 -0.447145
C 0.456176 -0.331247 -0.035933
C 2.372690 3.547840 -1.953879
C -1.957109 0.148244 0.018009
C -1.680903 1.515361 -0.278350
C -0.867680 -0.758189 0.136735
C 5.025013 -0.729727 -0.190157
C 4.115187 0.249828 -0.844707
C 6.146320 -1.178118 -0.938344
C 4.805728 -1.221213 1.124944
C 7.039302 -2.112268 -0.376877
C 5.704660 -2.155362 1.680543
C 6.820445 -2.602193 0.933107
C -5.542429 -0.128967 0.278212
C -6.629739 0.773945 0.136508
C -5.794443 -1.495244 0.595304
C -7.955247 0.322435 0.308101
C -7.119721 -1.937364 0.765039
C -8.204866 -1.034202 0.622987
H 1.822195 3.473127 0.180726
H 3.482610 2.948733 -0.181985
H -0.178618 3.008574 -0.680917
H 1.282473 -1.038330 0.060055
H 3.024418 2.987874 -2.643464
H 1.346050 3.533221 -2.358404
H 2.710512 4.599612 -1.908972
H -2.522081 2.209774 -0.367542
H -1.092342 -1.805168 0.365855
H 6.295229 -0.786838 -1.950110
H 3.943690 -0.869350 1.698119
H 7.902170 -2.458573 -0.955367
H 5.537177 -2.534865 2.694032
H 7.515625 -3.328194 1.369095
H -6.406397 1.817940 -0.107756
H -4.943060 -2.174706 0.699656
H -8.790151 1.023090 0.197047
H -7.316546 -2.987830 1.008790
H -9.233570 -1.387452 0.756713


