%chk=000048752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048752

0 1
 O   0.2279000     -8.8000000E-02   2.395200    
 O   0.1085000     -0.6911000      -2.352300    
 O   -3.075600       1.780500     -0.1727000    
 N   -1.428400      0.8012000       1.091900    
 N   -1.487200      0.5052000      -1.232100    
 C   0.2020000     -0.7326000      6.4199999E-02
 C  -0.2088000      -2.168700      0.2528000    
 C    1.732900     -0.6436000      1.5400000E-02
 C  -0.3017000      2.0800000E-02   1.287600    
 C  -0.3662000     -0.3060000      -1.282100    
 C   -1.715000      -2.299900      0.3313000    
 C    2.503700      0.4574000     -6.4499997E-02
 C   -2.070300       1.070600     -0.1078000    
 C    4.005500      0.4699000     -0.1085000    
 C    1.872800       1.824200     -0.1183000    
 H   0.2222000      -2.590100       1.171500    
 H   0.1513000      -2.800900     -0.5706000    
 H    2.257500      -1.599100      4.4199999E-02
 H   -2.152000      -1.781800       1.189100    
 H   -2.226600      -1.984100     -0.5816000    
 H   -1.966700      -3.359400      0.4634000    
 H   -1.810300       1.254600       1.917300    
 H   -1.912600      0.7398000      -2.124700    
 H    4.417800     -0.5428000     -5.0299998E-02
 H    4.357700      0.9215000      -1.041400    
 H    4.407000       1.043400      0.7331000    
 H    2.060300       2.355500      0.8209000    
 H    2.326600       2.406400     -0.9289000    
 H   0.8016000       1.842200     -0.3042000    


%chk=000048752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048752

0 1
O -0.024233 -0.288819 2.521448
O -0.045635 -0.734031 -2.345894
O -2.936390 2.157543 -0.144134
N -1.431720 0.920064 1.148997
N -1.456875 0.687887 -1.201252
C 0.169773 -0.732540 0.107208
C -0.182308 -2.265276 0.249828
C 1.706083 -0.608894 0.093952
C -0.405782 -0.027626 1.353594
C -0.419733 -0.268769 -1.240805
C -1.688050 -2.589689 0.279840
C 2.452305 0.517288 -0.068822
C -2.008722 1.313492 -0.070459
C 3.968745 0.433506 -0.058424
C 1.896254 1.913299 -0.276702
H 0.300858 -2.610134 1.182198
H 0.301373 -2.776482 -0.602500
H 2.228218 -1.563729 0.236833
H -2.198028 -2.107518 1.134120
H -2.196522 -2.278172 -0.650986
H -1.834115 -3.679208 0.383817
H -1.817289 1.369650 1.986475
H -1.858772 0.968752 -2.102186
H 4.323923 -0.602633 0.071512
H 4.391162 0.826447 -1.004058
H 4.391306 1.048483 0.760240
H 2.323244 2.611838 0.468503
H 2.185320 2.296898 -1.274845
H 0.799510 1.973471 -0.199600


