%chk=000019630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019630

0 1
 O    1.367000      -2.110800      0.1659000    
 O   -1.025500      -1.229900       1.446700    
 N    4.762400       1.100800     -0.2574000    
 N   -4.902200      0.6425000     -0.3921000    
 N    1.191900      0.1016000     -0.6000000    
 N   -1.515200     -0.8447000     -0.8165000    
 C    5.594600     -4.8999999E-02  7.2899997E-02
 C    5.644500       1.203900      0.8978000    
 C   -5.358500       1.826100      0.3251000    
 C   -5.339000      0.4802000      0.9888000    
 C    3.384700      0.8784000      0.1618000    
 C   -3.447900      0.6192000     -0.4796000    
 C    2.564600      0.3204000     -0.9920000    
 C   -2.956400     -0.7978000     -0.7359000    
 C   0.7459000      -1.085900     -6.6000000E-02
 C  -0.7111000      -1.055000      0.2804000    
 H    6.416100     -0.2405000     -0.6052000    
 H    5.133200     -0.9315000      0.4965000    
 H    6.499800       1.855400      0.7761000    
 H    5.210600       1.190600       1.889200    
 H   -6.316100       2.221500      1.2700000E-02
 H   -4.630400       2.566600      0.6298000    
 H   -4.600800      0.2918000       1.757400    
 H   -6.283300     -3.1099999E-02   1.122500    
 H    2.954200       1.841200      0.4676000    
 H    3.281600      0.2187000       1.036100    
 H   -2.938500       1.027300      0.4061000    
 H   -3.138900       1.258600      -1.317000    
 H    2.551000       1.019500      -1.835400    
 H    2.982800     -0.6302000      -1.342800    
 H   -3.282000      -1.474400      6.2799998E-02
 H   -3.345400      -1.179700      -1.686200    
 H   0.5376000      0.8702000     -0.7159000    
 H   -1.086700     -0.7148000      -1.728600    


%chk=000019630-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019630

0 1
O 1.509356 -1.825982 0.460617
O -1.211126 -0.853698 1.493256
N 4.941446 1.016040 -0.260967
N -5.037390 0.620467 -0.418649
N 1.272966 0.186328 -0.703698
N -1.510178 -0.693418 -0.817129
C 5.768061 -0.212748 0.052379
C 5.943550 1.060212 0.866314
C -5.741134 1.693653 0.374268
C -5.619804 0.285901 0.937474
C 3.513625 0.936913 0.147962
C -3.554706 0.716980 -0.466283
C 2.709676 0.310684 -1.014300
C -2.983289 -0.691700 -0.741771
C 0.786354 -0.877616 0.044104
C -0.731056 -0.801020 0.325486
H 6.507164 -0.485022 -0.707108
H 5.265822 -1.058199 0.542701
H 6.810133 1.706589 0.697296
H 5.564506 1.050526 1.897728
H -6.690957 2.039125 -0.045013
H -5.129624 2.475445 0.846454
H -4.923302 0.135603 1.773921
H -6.481521 -0.388144 0.921735
H 3.159783 1.966970 0.343895
H 3.348712 0.329103 1.068335
H -3.105948 1.109546 0.477001
H -3.286422 1.402919 -1.292064
H 2.833897 0.922011 -1.924888
H 3.098339 -0.702233 -1.217777
H -3.287471 -1.371271 0.074613
H -3.394934 -1.078793 -1.689601
H 0.656308 0.980664 -0.889362
H -1.056238 -0.746636 -1.731329


