%chk=000045972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045972

1 1
 O  -0.3742000       1.532000     -0.9860000    
 O  -0.4820000       2.340800       1.191300    
 N    3.905200     -0.4737000      5.6600001E-02
 N   -1.460600       3.506000     -0.5599000    
 C   -1.832800     -0.7965000     -0.1627000    
 C   -2.442600     -0.9837000       1.237700    
 C   -2.302700      -1.905100      -1.120800    
 C   -3.966700      -1.071400       1.175800    
 C   -3.827400      -1.989000      -1.172800    
 C   -4.429400      -2.165500      0.2182000    
 C  -0.3191000     -0.6983000     -0.1105000    
 C   0.3321000      0.4624000     -0.5243000    
 C    2.462300     -0.5503000     -8.9999998E-04
 C   0.4171000      -1.785300      0.3580000    
 C    1.724000      0.5365000     -0.4693000    
 C    1.808800      -1.711200      0.4128000    
 C    4.529500      -1.787400      0.6072000    
 C    4.383900      0.6960000      0.9631000    
 C    4.610600     -0.2352000      -1.315700    
 C  -0.7529000       2.462500      3.0000001E-04
 C   -1.983200       4.616400      0.2017000    
 H   -2.245100      0.1401000     -0.5584000    
 H   -2.154700     -0.1485000       1.888000    
 H   -2.058700      -1.895300       1.712400    
 H   -1.909000      -2.881500     -0.8117000    
 H   -1.915800      -1.718100      -2.130300    
 H   -4.374800     -0.1058000      0.8524000    
 H   -4.365100      -1.266200       2.178000    
 H   -4.128300      -2.825800      -1.813300    
 H   -4.227800      -1.076400      -1.631100    
 H   -4.141700      -3.145500      0.6183000    
 H   -5.523000      -2.156900      0.1500000    
 H  -7.0400000E-02  -2.699300      0.6853000    
 H    2.212500       1.448300     -0.8025000    
 H    2.305500      -2.598200      0.7878000    
 H    4.178700      -1.947800       1.631800    
 H    4.293200      -2.612200     -7.2700001E-02
 H    5.616800      -1.653900      0.6339000    
 H    5.474100      0.6445000       1.044000    
 H    4.085100       1.646000      0.5117000    
 H    3.924000      0.5659000       1.947600    
 H    4.283200      0.7299000      -1.712100    
 H    5.693200     -0.2345000      -1.157300    
 H    4.315000      -1.048600      -1.985100    
 H   -1.625600       3.490900      -1.561700    
 H   -1.581800       5.539900     -0.2224000    
 H   -1.707600       4.541400       1.256200    
 H   -3.071300       4.615800      0.1019000    


%chk=000045972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045972

1 1
O -0.705599 1.443688 -0.143956
O 0.881593 3.242775 -0.079756
N 3.915142 -0.407224 0.199147
N -1.441910 3.578796 -0.207417
C -1.929004 -1.069518 -0.290203
C -2.577113 -0.950748 1.128818
C -2.407597 -2.371706 -0.983299
C -4.120919 -0.995954 1.037596
C -3.950919 -2.397793 -1.091639
C -4.612772 -2.263619 0.299744
C -0.415775 -0.928878 -0.192554
C 0.195694 0.360937 -0.100388
C 2.404781 -0.632356 0.067113
C 0.451115 -2.043504 -0.150575
C 1.593493 0.519008 0.025276
C 1.854773 -1.922533 -0.019790
C 4.696994 -1.716917 0.264472
C 4.209941 0.380298 1.484867
C 4.422605 0.385187 -1.015273
C -0.304410 2.834350 -0.139452
C -1.421244 5.049308 -0.220948
H -2.306089 -0.212855 -0.884540
H -2.247423 -0.014193 1.616737
H -2.215627 -1.791599 1.755757
H -2.088291 -3.256093 -0.393719
H -1.949100 -2.463267 -1.987374
H -4.480726 -0.095990 0.496731
H -4.554860 -0.951646 2.054495
H -4.275199 -3.336223 -1.579237
H -4.288901 -1.566705 -1.744305
H -4.368378 -3.158663 0.907946
H -5.713791 -2.239842 0.197125
H 0.024014 -3.046775 -0.227617
H 1.985434 1.537021 0.077896
H 2.458146 -2.832056 0.006284
H 4.366975 -2.299344 1.136562
H 4.535984 -2.287331 -0.661305
H 5.765267 -1.472388 0.365541
H 5.298238 0.526976 1.568790
H 3.702281 1.353042 1.441959
H 3.829842 -0.195987 2.341089
H 3.905949 1.353366 -1.059352
H 5.508049 0.539814 -0.910435
H 4.200131 -0.192327 -1.924501
H -2.332002 3.079950 -0.254289
H -1.865827 5.437864 -1.153725
H -0.374856 5.384445 -0.159470
H -1.977603 5.455406 0.641672


