%chk=000132127.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132127

0 1
 O  -0.3268000      -1.870700      5.5399999E-02
 O   -5.033500      -3.762700      0.2375000    
 N   -2.856300       1.335800     -4.8200000E-02
 N    5.503800     -0.5714000     -0.1233000    
 N    1.841300     -7.0299998E-02 -7.5099997E-02
 N   -2.428300       3.520300     -0.1603000    
 C   -1.498800       1.473600     -8.1400000E-02
 C  -0.5449000      0.4738000     -5.2499998E-02
 C   0.7883000      0.8680000     -9.7300000E-02
 C   -3.439200      5.6600001E-02  2.4400000E-02
 C   -1.239600       2.824000     -0.1508000    
 C    4.094700     -0.9366000     -4.8599999E-02
 C    3.219600      0.3081000     -0.1223000    
 C   -2.570000      -1.064900      6.0899999E-02
 C   -1.071300     -0.9021000      2.3700001E-02
 C    1.103400       2.234100     -0.1688000    
 C   0.1036000       3.230700     -0.1967000    
 C   -3.378000       2.601300     -9.7900003E-02
 C    6.349000      -1.766600     -9.1899998E-02
 C    5.861700      0.3315000      0.9724000    
 C   -4.822700     -0.1080000      5.9799999E-02
 C   -3.113700      -2.348600      0.1332000    
 C   -4.500800      -2.510500      0.1685000    
 C   -5.348100      -1.399000      0.1321000    
 C    5.994900      -2.719200      -1.221300    
 C    7.311700      0.7730000      0.8685000    
 H    3.873500      -1.501500      0.8674000    
 H    3.800800      -1.567500     -0.8949000    
 H    3.439600      0.8584000      -1.045500    
 H    3.395100      0.9594000      0.7371000    
 H    1.591400      -1.051400     -2.4599999E-02
 H    2.130500       2.588300     -0.2087000    
 H   0.3731000       4.280200     -0.2526000    
 H   -4.439400       2.808100     -8.6700000E-02
 H    7.399200      -1.500000     -0.2486000    
 H    6.279400      -2.292800      0.8686000    
 H    5.299500       1.267100      0.9201000    
 H    5.675800     -0.1176000       1.955900    
 H   -5.505900      0.7349000      3.2900002E-02
 H   -2.469400      -3.223500      0.1621000    
 H   -6.426300      -1.535700      0.1598000    
 H    5.914100      -2.200400      -2.182700    
 H    5.067800      -3.268900      -1.031400    
 H    6.784600      -3.472300      -1.324800    
 H    8.011300     -1.5300000E-02   1.163000    
 H    7.489300       1.614600       1.547900    
 H    7.562200       1.112500     -0.1424000    
 H   -4.310600      -4.413200      0.2541000    


%chk=000132127-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132127

0 1
O -0.243219 -1.812705 0.439264
O -5.011865 -3.729977 0.971026
N -2.916106 1.350863 -0.299074
N 5.475103 -0.765051 0.166795
N 1.782500 -0.005637 -0.034387
N -2.519403 3.548695 -0.840753
C -1.536992 1.513061 -0.358534
C -0.578731 0.513032 -0.127553
C 0.800985 0.929824 -0.247926
C -3.455197 0.080825 0.018724
C -1.283755 2.863359 -0.691154
C 4.020229 -1.037665 0.122900
C 3.221934 0.261223 -0.120205
C -2.533852 -0.992571 0.268383
C -1.045140 -0.821547 0.206202
C 1.086787 2.305117 -0.585330
C 0.073231 3.260120 -0.804728
C -3.466676 2.630291 -0.603228
C 6.299606 -1.860884 -0.411325
C 5.937655 -0.330895 1.514711
C -4.851917 -0.147543 0.093902
C -3.050003 -2.273156 0.588289
C -4.437315 -2.487743 0.659977
C -5.342729 -1.421781 0.412109
C 6.242401 -1.904373 -1.950050
C 7.199700 0.550918 1.461760
H 3.654312 -1.526735 1.060014
H 3.807238 -1.740082 -0.703186
H 3.493670 0.660679 -1.117365
H 3.518790 1.027198 0.626671
H 1.428270 -0.951313 0.206893
H 2.131213 2.616882 -0.673719
H 0.333009 4.292850 -1.058799
H -4.536771 2.816681 -0.633225
H 7.346883 -1.688249 -0.104205
H 6.007530 -2.856834 0.008284
H 5.120818 0.252294 1.980108
H 6.115424 -1.210265 2.184076
H -5.555270 0.668994 -0.096086
H -2.319173 -3.070927 0.773041
H -6.417026 -1.616839 0.474304
H 6.589534 -0.944390 -2.369899
H 5.217284 -2.086984 -2.320969
H 6.885945 -2.716022 -2.337817
H 8.061640 0.013126 1.027276
H 7.487256 0.875593 2.479192
H 7.011534 1.445184 0.842653
H -4.313742 -4.413045 1.128965


