%chk=000047493.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047493

0 1
 O   0.9082000      -2.131200      0.6483000    
 N    5.623100     -0.7080000     -0.8172000    
 N   -5.440200      0.8072000     -0.3418000    
 C    2.102100     -0.1620000      0.2004000    
 C    3.267600     -0.7978000     -0.2271000    
 C    4.444700     -6.5499999E-02 -0.3833000    
 C    2.113400       1.206200      0.4718000    
 C   0.8744000     -0.9247000      0.3625000    
 C   -2.928700     -0.3080000      5.0700001E-02
 C    4.456000       1.302600     -0.1117000    
 C    3.290500       1.938400      0.3159000    
 C  -0.4397000     -0.2283000      0.1458000    
 C   -1.595200     -0.8998000      0.2582000    
 C   -3.082800       1.062000      0.1295000    
 C   -4.002600      -1.132700     -0.2200000    
 C   -4.356100       1.569100     -7.4100003E-02
 C   -5.234700     -0.5274000     -0.4080000    
 H    3.264900      -1.863600     -0.4452000    
 H    1.239900       1.734500      0.8417000    
 H    5.367100       1.884000     -0.2278000    
 H    3.301900       3.002200      0.5354000    
 H  -0.4157000      0.8062000     -0.1711000    
 H   -1.591900      -1.953900      0.5252000    
 H   -2.280600       1.752600      0.3599000    
 H   -3.907100      -2.210900     -0.2885000    
 H    5.616400      -1.700300      -1.012300    
 H    6.477000     -0.1777000     -0.9284000    
 H   -4.544500       2.636400     -2.0099999E-02
 H   -6.117500      -1.120000     -0.6243000    


%chk=000047493-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047493

0 1
O 0.893887 -2.111347 -0.323582
N 5.793529 -0.860338 -0.300780
N -5.685160 0.687173 0.126302
C 2.142360 -0.057020 -0.100192
C 3.349976 -0.785017 -0.228829
C 4.610327 -0.135397 -0.172910
C 2.186191 1.353699 0.089676
C 0.862596 -0.844067 -0.171961
C -2.979672 -0.276178 -0.033587
C 4.639953 1.280203 0.018186
C 3.438582 2.003315 0.146779
C -0.442848 -0.130797 -0.065802
C -1.619996 -0.826600 -0.120392
C -3.269746 1.110596 0.123986
C -4.094283 -1.158870 -0.108197
C -4.610864 1.534957 0.197446
C -5.405114 -0.642299 -0.025289
H 3.276878 -1.869444 -0.372317
H 1.274296 1.946721 0.195067
H 5.603295 1.803109 0.065004
H 3.481058 3.088321 0.293723
H -0.439735 0.956569 0.053669
H -1.533102 -1.916495 -0.242601
H -2.467507 1.852429 0.189214
H -3.936470 -2.236443 -0.229374
H 5.772479 -1.866874 -0.435944
H 6.697312 -0.398908 -0.260777
H -4.854567 2.596436 0.318904
H -6.273756 -1.307833 -0.081023


