%chk=000145797.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145797

0 1
 O  -0.3828000      -2.336900      0.5109000    
 O   -4.570700       1.862100      0.4225000    
 O    6.656200      0.2941000     -0.9434000    
 N   0.3701000     -0.2716000     -0.1447000    
 N   -1.901700       1.640600      0.6335000    
 N    6.963800      -1.133900      0.8323000    
 C    2.489500      0.7449000      5.4800000E-02
 C   0.1839000       1.121900     -0.5284000    
 C    1.601800       1.619100     -0.8323000    
 C    1.784000     -0.6052000     -1.5400000E-02
 C    3.935100      0.6936000     -0.4047000    
 C  -0.4705000       1.844800      0.6383000    
 C  -0.6252000      -1.183100      0.1508000    
 C    4.765200     -0.2223000      0.4850000    
 C   -2.056800     -0.7800000      1.9900000E-02
 C   -2.595700      0.4937000      0.2924000    
 C   -3.999300      0.6402000      0.1681000    
 C   -2.915800      -1.836600     -0.3601000    
 C    6.208700     -0.3059000      2.9500000E-02
 C   -4.836500     -0.4105000     -0.2068000    
 C   -4.291300      -1.653100     -0.4750000    
 C   -6.311900     -0.2158000     -0.3273000    
 H    2.440700       1.125500       1.084100    
 H  -0.4356000       1.176700      -1.431700    
 H    1.737700       2.688700     -0.6453000    
 H    1.830700       1.435200      -1.890100    
 H    2.066000      -1.181400     -0.9041000    
 H    1.951300      -1.221600      0.8735000    
 H    4.359100       1.705600     -0.3924000    
 H    3.991800      0.3484000      -1.445200    
 H  -6.1000001E-02   1.523000       1.603400    
 H  -0.2920000       2.923200      0.5587000    
 H   -2.464400       2.443900      0.8977000    
 H    4.362100      -1.241500      0.4797000    
 H    4.751300      0.1415000       1.519400    
 H   -2.520900      -2.827000     -0.5796000    
 H   -4.915500      -2.491200     -0.7718000    
 H   -6.816900      -1.141600     -0.6254000    
 H   -6.743300      8.6700000E-02  0.6328000    
 H   -6.543300      0.5337000      -1.091400    
 H    7.949600      -1.284700      0.6455000    
 H    6.571200      -1.619900       1.632400    
 H   -5.531700       1.846300      0.3011000    


%chk=000145797-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145797

0 1
O -0.306603 -2.384688 0.317709
O -4.581274 1.959771 0.241813
O 6.895963 0.957087 0.043891
N 0.368104 -0.245840 -0.179954
N -2.012930 1.734131 0.389081
N 7.101574 -1.304647 0.506061
C 2.532090 0.710364 0.117820
C 0.209218 1.172247 -0.585235
C 1.674908 1.651972 -0.771493
C 1.786992 -0.638919 -0.010934
C 4.016031 0.654003 -0.289522
C -0.576861 1.964400 0.491386
C -0.634543 -1.172891 0.058283
C 4.847176 -0.295701 0.601175
C -2.086104 -0.776550 -0.019661
C -2.663608 0.528248 0.143142
C -4.095798 0.633157 0.064428
C -2.965660 -1.881428 -0.231344
C 6.354912 -0.146543 0.349321
C -4.951973 -0.455642 -0.160594
C -4.355359 -1.738485 -0.307864
C -6.456228 -0.258132 -0.233723
H 2.462037 1.051894 1.171616
H -0.358377 1.243969 -1.533343
H 1.802877 2.717279 -0.511873
H 1.974705 1.527533 -1.829460
H 2.141748 -1.209549 -0.895482
H 1.883259 -1.302529 0.864330
H 4.472012 1.659933 -0.232367
H 4.095574 0.332067 -1.347545
H -0.176245 1.691076 1.490992
H -0.408742 3.047884 0.347576
H -2.640611 2.534205 0.483563
H 4.529505 -1.347156 0.463897
H 4.666658 -0.043570 1.666841
H -2.495181 -2.865251 -0.315642
H -4.992784 -2.612048 -0.480652
H -6.961976 -1.223157 -0.400031
H -6.872969 0.162957 0.704574
H -6.752839 0.409582 -1.068118
H 8.113660 -1.252153 0.389328
H 6.672327 -2.199601 0.733862
H -5.567668 1.980319 0.215347


