%chk=000041024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041024

0 1
 O   -2.498900       2.221000      0.5635000    
 N    1.905300      -1.774100      1.7899999E-02
 N   -1.245900      0.1986000      0.4466000    
 N   -2.375900      -1.863300      0.7008000    
 C    2.875100     -0.7069000      0.3017000    
 C    2.372700      -2.640100      -1.073700    
 C    4.236200      -1.287000      0.6900000    
 C    3.717300      -3.283100     -0.7306000    
 C   0.5976000      -1.204200     -0.3055000    
 C    4.763900      -2.230000     -0.3851000    
 C   1.7000001E-02 -0.3802000      0.8507000    
 C  -0.1750000      -1.191300       2.130000    
 C   -2.350200     -0.6908000      8.8200003E-02
 C   -1.447400       1.607000      0.3868000    
 C  -0.2777000       2.446700      6.4599998E-02
 C   -3.214300     -0.1938000     -0.8337000    
 C  -3.0000000E-03   2.744100      -1.259300    
 C   0.5194000       2.919300       1.093000    
 C   -4.268700      -1.031400      -1.180600    
 C   -3.414100      -2.649800      0.3385000    
 C   -4.377700      -2.284600     -0.5878000    
 C    1.102700       3.538000      -1.564000    
 C    1.625000       3.713300      0.7883000    
 C    1.916600       4.022500     -0.5403000    
 H    2.577400     -9.4099998E-02   1.156000    
 H    2.989600     -3.8500000E-02 -0.5617000    
 H    2.464400      -2.073800      -2.010000    
 H    1.647200      -3.443900      -1.248700    
 H    4.147700      -1.829400       1.640200    
 H    4.953400     -0.4742000      0.8515000    
 H    4.065600      -3.886600      -1.576400    
 H    3.591600      -3.965900      0.1194000    
 H   0.6634000     -0.5772000      -1.205900    
 H  -8.1900001E-02  -2.027500     -0.5569000    
 H    5.015500      -1.655100      -1.284700    
 H    5.685500      -2.713200     -4.2800002E-02
 H   0.6867000      0.4319000       1.111100    
 H  -0.4536000      -2.234600       1.955500    
 H   0.7759000      -1.239300       2.675400    
 H  -0.9018000     -0.7306000       2.808500    
 H   -3.120000      0.7598000      -1.336500    
 H  -0.6320000       2.368900      -2.061600    
 H   0.2964000       2.687900       2.130900    
 H   -4.998500     -0.7129000      -1.918900    
 H   -3.453100      -3.617100      0.8286000    
 H   -5.189600      -2.955100     -0.8449000    
 H    1.330100       3.778300      -2.598400    
 H    2.258300       4.091400       1.585500    
 H    2.777500       4.640600     -0.7775000    


%chk=000041024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041024

0 1
O -2.550729 2.101031 0.818822
N 2.015140 -1.757056 -0.139876
N -1.251360 0.202064 0.275489
N -2.290470 -1.942642 0.162169
C 2.952469 -0.738922 -0.676350
C 2.381895 -3.126230 -0.584703
C 4.406294 -1.030115 -0.248051
C 3.814626 -3.488816 -0.144492
C 0.591072 -1.433889 -0.386741
C 4.829172 -2.452478 -0.678760
C 0.046404 -0.460559 0.693784
C -0.057395 -1.109823 2.090687
C -2.384746 -0.602265 -0.081135
C -1.423313 1.588927 0.541361
C -0.217888 2.488351 0.430745
C -3.531153 -0.037736 -0.716315
C 0.691624 2.393967 -0.655020
C -0.091672 3.556311 1.354702
C -4.581503 -0.891858 -1.095900
C -3.320416 -2.752525 -0.213300
C -4.490602 -2.282227 -0.840694
C 1.721461 3.348107 -0.803327
C 0.952296 4.495113 1.218694
C 1.861833 4.393790 0.139089
H 2.649673 0.259405 -0.310582
H 2.901025 -0.707982 -1.799543
H 2.310291 -3.223882 -1.701258
H 1.658053 -3.836827 -0.145166
H 4.478456 -0.939189 0.853051
H 5.078194 -0.270128 -0.691996
H 4.064441 -4.504890 -0.506345
H 3.852562 -3.506405 0.962120
H 0.431739 -0.982072 -1.399390
H -0.000086 -2.362358 -0.348241
H 4.860494 -2.506767 -1.787158
H 5.848557 -2.681837 -0.314819
H 0.767902 0.368105 0.778156
H -0.816263 -1.906291 2.096754
H 0.928502 -1.540732 2.339410
H -0.318328 -0.356418 2.856418
H -3.600517 1.035116 -0.892860
H 0.573662 1.593354 -1.394848
H -0.826178 3.644802 2.161922
H -5.466089 -0.472831 -1.587071
H -3.187760 -3.818183 0.007596
H -5.292393 -2.972813 -1.117535
H 2.409312 3.278816 -1.653339
H 1.051385 5.309653 1.944385
H 2.666029 5.129531 0.027158


