%chk=000039148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039148

0 1
 O    1.001700      -1.137700     -0.7024000    
 O    1.605200       2.379900     -0.3386000    
 O    2.221100      -3.252500      0.6307000    
 N    4.080300      0.6246000      0.2642000    
 N  -0.7445000      0.2433000      0.1116000    
 N   -2.178100      0.4104000       1.812700    
 N   -2.305100     -0.1444000      -1.709400    
 N   -4.611100     -0.1753000     -0.9110000    
 N   -5.177900      0.1462000       1.391800    
 C    2.867500      0.3173000     -0.4768000    
 C    1.636500       1.022900      6.4700000E-02
 C    2.430500      -1.150600     -0.4839000    
 C   0.5289000      0.2182000     -0.6042000    
 C    2.690600      -1.928100      0.8027000    
 C    5.219700     -0.1293000     -0.2669000    
 C    4.364800       2.061800      0.2239000    
 C   -1.990800      7.6399997E-02 -0.4241000    
 C  -0.9105000      0.4402000       1.457900    
 C   -2.864600      0.1839000      0.6462000    
 C   -4.220900      4.9800001E-02  0.3668000    
 C   -3.643200     -0.2571000      -1.855800    
 H    3.000000      0.6305000      -1.524900    
 H    1.641900      0.9764000       1.156900    
 H    2.878700      -1.687000      -1.328700    
 H   0.3307000      0.5896000      -1.617500    
 H    2.124900      -1.498600       1.636100    
 H    3.737900      -1.982600       1.100700    
 H   0.7621000       2.755200     -3.2699998E-02
 H    6.105700      4.6999998E-02  0.3540000    
 H    5.461700      0.1793000      -1.291400    
 H    5.075000      -1.211200     -0.2811000    
 H    3.670400       2.627000      0.8526000    
 H    4.357900       2.467200     -0.7944000    
 H    5.354600       2.264300      0.6517000    
 H  -9.6900001E-02  0.5802000       2.154300    
 H    2.743900      -3.661000     -8.0200002E-02
 H   -3.991700     -0.4378000      -2.867100    
 H   -4.889200      0.3137000       2.346100    
 H   -6.157500      4.4799998E-02   1.163600    


%chk=000039148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039148

0 1
O 1.500730 -1.840599 -0.830034
O 1.128066 1.664199 -1.617226
O 2.178080 -2.812659 1.808406
N 3.755943 0.959957 0.192128
N -0.637147 -0.845018 -0.316398
N -2.360928 -1.678568 0.943322
N -1.611596 1.348029 -0.959752
N -3.872463 1.644954 -0.052628
N -4.951473 0.024666 1.285259
C 2.864215 0.133766 -0.650910
C 1.387378 0.596835 -0.672892
C 2.719800 -1.332638 -0.128774
C 0.628814 -0.707723 -1.076641
C 2.563933 -1.455172 1.401058
C 5.155032 0.472185 0.146062
C 3.704811 2.409289 -0.132040
C -1.637826 0.123018 -0.342650
C -1.117006 -1.906105 0.469784
C -2.699282 -0.410296 0.433810
C -3.856748 0.412268 0.565524
C -2.776903 2.040325 -0.762260
H 3.206279 0.089762 -1.717148
H 1.086333 0.891469 0.355608
H 3.530003 -1.997424 -0.481519
H 0.383338 -0.675687 -2.155195
H 1.752224 -0.813160 1.776241
H 3.503131 -1.135133 1.893972
H 0.125281 1.826496 -1.568056
H 5.776731 1.096674 0.811034
H 5.597126 0.514302 -0.880827
H 5.223951 -0.569988 0.504696
H 2.668172 2.773275 -0.099061
H 4.103082 2.637720 -1.149711
H 4.306115 2.958264 0.614467
H -0.499368 -2.777164 0.675130
H 2.826437 -3.465095 1.439359
H -2.838012 3.029224 -1.225145
H -4.955843 -0.880036 1.752231
H -5.750211 0.652687 1.348877


