%chk=000063421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063421

0 1
 O   -1.596700      -2.681200      0.2018000    
 O    3.068600      0.9765000      -1.505800    
 N    1.341600      0.1951000     -0.1187000    
 N   -1.050900     -0.4046000      0.1517000    
 N    3.439400       3.128600     -0.1055000    
 C   2.0700000E-02  0.5547000      0.4092000    
 C    1.681400      -1.192400     -2.9600000E-02
 C   0.6709000      -2.149500      0.1528000    
 C  -0.7671000      -1.775000      0.1642000    
 C   -2.406500      8.5900001E-02  7.2600000E-02
 C    2.233000       1.161000     -0.6175000    
 C    2.120100       2.544700     -1.7300000E-02
 C    3.014300      -1.639300     -7.0699997E-02
 C   0.9956000      -3.513000      0.2703000    
 C   -3.373900     -0.6614000     -0.5924000    
 C   -2.736400       1.302600      0.6618000    
 C    3.330400      -2.995300      4.7300000E-02
 C    2.321400      -3.932400      0.2161000    
 C   -5.019700       1.031500     -7.9800002E-02
 C   -4.683500     -0.1874000     -0.6687000    
 C   -4.046100       1.776500      0.5854000    
 C    4.422100       2.327800      0.6358000    
 C    3.441200       4.508200      0.3979000    
 C   -6.419700       1.538400     -0.1607000    
 H  -0.2482000       1.516600     -3.8199998E-02
 H   0.1227000      0.6742000       1.495000    
 H    1.766600       2.495400       1.018700    
 H    1.396900       3.110100     -0.6158000    
 H    3.841900     -0.9435000     -0.1713000    
 H   0.2257000      -4.269400      0.4016000    
 H   -3.149700      -1.585700      -1.113900    
 H   -2.017800       1.900600       1.213800    
 H    4.368300      -3.313700      1.3900000E-02
 H    2.564400      -4.986500      0.3084000    
 H   -5.431300     -0.7716000      -1.198700    
 H   -4.297900       2.723800       1.055100    
 H    4.618800       1.343200      0.2057000    
 H    4.130000       2.193700       1.684500    
 H    5.395300       2.834300      0.6286000    
 H    3.168500       4.560100       1.458100    
 H    2.735200       5.123200     -0.1713000    
 H    4.429100       4.964200      0.2695000    
 H   -6.910900       1.198400      -1.078800    
 H   -6.997900       1.183600      0.6982000    
 H   -6.443500       2.633400     -0.1719000    


%chk=000063421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063421

0 1
O -1.600803 -2.709190 -0.523677
O 3.465712 0.525215 -0.588670
N 1.572588 -0.297548 0.500270
N -0.829593 -0.686782 0.409820
N 2.698066 3.232781 -0.313642
C 0.285900 -0.102564 1.192723
C 1.859989 -1.687933 0.276442
C 0.733834 -2.552082 0.116737
C -0.662295 -2.020811 -0.021504
C -2.057065 0.048538 0.253531
C 2.381172 0.757161 0.007681
C 1.852215 2.188170 0.266388
C 3.171751 -2.219054 0.232842
C 0.938483 -3.943211 -0.050902
C -2.844598 -0.091957 -0.919736
C -2.484073 0.949159 1.261958
C 3.351737 -3.608391 0.067335
C 2.240498 -4.476607 -0.066787
C -4.454778 1.582703 -0.077389
C -4.021335 0.664631 -1.071151
C -3.661643 1.709432 1.088312
C 4.016027 3.372358 0.338520
C 1.984993 4.519079 -0.437959
C -5.734065 2.380384 -0.256388
H 0.086422 0.963241 1.345027
H 0.352206 -0.597567 2.182792
H 1.714959 2.317108 1.377560
H 0.845673 2.272993 -0.188475
H 4.029713 -1.552167 0.319072
H 0.055339 -4.573601 -0.195679
H -2.539435 -0.798216 -1.694054
H -1.926137 1.042378 2.200775
H 4.369015 -4.014446 0.045473
H 2.393841 -5.552983 -0.194453
H -4.615187 0.543549 -1.985374
H -3.973326 2.399327 1.881576
H 4.557373 2.416364 0.277713
H 3.938840 3.686658 1.411746
H 4.606805 4.133864 -0.199658
H 1.703624 4.976639 0.545551
H 1.063123 4.385392 -1.032129
H 2.629638 5.239526 -0.971408
H -5.757708 2.892207 -1.236218
H -6.623883 1.723626 -0.212511
H -5.847212 3.147027 0.529320


