%chk=000049124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049124

0 1
 O   -3.235500      0.7260000     -2.3800001E-02
 O   -2.972000      -1.573200      3.7700001E-02
 N    2.309600       1.148700     -5.1500000E-02
 N    4.558400      0.3611000     -3.7000000E-02
 N   -5.107600     -0.6519000      1.9200001E-02
 C   0.9032000       1.042300     -4.4700000E-02
 C    3.240800      7.2400004E-02 -2.6200000E-02
 C   0.2114000       1.021300       1.166300    
 C   0.2042000      0.9569000      -1.248700    
 C   -1.840800      0.8318000     -3.0700000E-02
 C    2.838800       2.500700      0.1888000    
 C   -1.179400      0.9144000       1.173400    
 C   -1.186600      0.8503000      -1.241700    
 C    2.719600      -1.207800      8.6000003E-03
 C    3.616700      -2.269900      3.4400001E-02
 C   -3.709800     -0.5886000      1.3300000E-02
 C    5.400000     -0.6968000     -1.1300000E-02
 C    4.984100      -2.018000      2.4400000E-02
 C   -5.781400      -1.942100      5.6000002E-02
 C   -5.973700      0.5223000     -6.3000000E-03
 H   0.7447000       1.086100       2.111500    
 H   0.7326000      0.9729000      -2.198500    
 H    2.078100       3.271500      1.4500000E-02
 H    3.670800       2.724500     -0.4884000    
 H    3.185000       2.596600       1.224100    
 H   -1.718200      0.8983000       2.115500    
 H   -1.731200      0.7847000      -2.178300    
 H    1.659000      -1.431000      1.7200001E-02
 H    3.251400      -3.292100      6.2100001E-02
 H    6.455800     -0.4469000     -2.0400001E-02
 H    5.701600      -2.830200      4.4000000E-02
 H   -6.402300      -1.989400      0.9553000    
 H   -5.068500      -2.770200      7.2300002E-02
 H   -6.413900      -2.034500     -0.8316000    
 H   -6.599100      0.5136000      0.8911000    
 H   -6.610400      0.4667000     -0.8942000    
 H   -5.411900       1.457800     -3.4499999E-02


%chk=000049124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049124

0 1
O -3.284289 0.399233 0.200435
O -3.434100 -1.853287 -0.534785
N 2.354132 1.127712 0.177473
N 4.595117 0.541074 -0.293704
N -5.347790 -0.566933 -0.094051
C 0.946325 0.873595 0.188578
C 3.319775 0.116779 -0.017313
C 0.107637 1.550104 1.115680
C 0.340162 0.008041 -0.763857
C -1.861092 0.464864 0.166370
C 2.812537 2.510585 0.438946
C -1.286532 1.347724 1.103677
C -1.051866 -0.206496 -0.779111
C 3.011152 -1.275503 0.112089
C 4.035990 -2.216944 -0.081388
C -3.987881 -0.781240 -0.179901
C 5.569622 -0.391923 -0.475721
C 5.349651 -1.782379 -0.393810
C -6.253788 -1.675367 -0.434641
C -5.974057 0.693857 0.332483
H 0.545192 2.226764 1.855788
H 0.962087 -0.484721 -1.517455
H 2.119833 3.226708 -0.033971
H 3.819469 2.616894 0.010034
H 2.871007 2.726881 1.524719
H -1.935055 1.862318 1.819143
H -1.497863 -0.884545 -1.508125
H 2.004955 -1.600782 0.385218
H 3.814172 -3.284527 0.025476
H 6.567428 0.007577 -0.693580
H 6.168958 -2.489377 -0.550937
H -6.883735 -1.940973 0.435985
H -5.654635 -2.550074 -0.727062
H -6.915532 -1.389158 -1.274602
H -6.578847 0.532112 1.246202
H -6.642616 1.075277 -0.463605
H -5.202024 1.444430 0.541222


