%chk=000101421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101421

0 1
 O  -0.3290000       1.719900      -1.316400    
 O   -2.221700      -2.302600      0.1949000    
 N    1.103300      2.4499999E-02 -0.6170000    
 N   -1.299500     -0.2758000     -0.5672000    
 N   0.5885000      -3.209300      0.6268000    
 N    2.362000      -1.934300      0.1802000    
 C    2.310500      0.7967000     -0.8842000    
 C   -2.616700      0.2953000     -0.8275000    
 C    1.204200      -1.264600     -0.1121000    
 C  -0.1773000      0.5781000     -0.8676000    
 C    2.755700       1.616300      0.3224000    
 C   9.8800004E-02  -2.025900      0.1534000    
 C   -3.179900       1.034200      0.3819000    
 C   -1.247000      -1.598000     -5.0999999E-02
 C    4.007300       2.449800      3.7599999E-02
 C   -4.573300       1.611300      0.1218000    
 C    1.955600      -3.105800      0.6242000    
 C    4.392200       3.301200       1.237400    
 C   -5.133800       2.289300       1.362400    
 H    3.109800      0.1212000      -1.212000    
 H    2.109600       1.472800      -1.724000    
 H   -2.562900      0.9747000      -1.686000    
 H   -3.302400     -0.5123000      -1.110600    
 H    2.948600      0.9478000       1.170800    
 H    1.938300       2.279900      0.6320000    
 H   -2.497400       1.843600      0.6700000    
 H   -3.223700      0.3490000       1.238000    
 H    3.829900       3.103700     -0.8241000    
 H    4.841900       1.788400     -0.2220000    
 H   -5.254900      0.8109000     -0.1883000    
 H   -4.527100       2.336000     -0.6991000    
 H   4.8500001E-02  -4.011500      0.9235000    
 H    2.590400      -3.914900      0.9563000    
 H    4.603300       2.675500       2.110500    
 H    5.289400       3.886800       1.014100    
 H    3.588800       3.997100       1.499100    
 H   -4.489200       3.113600       1.683800    
 H   -6.128200       2.696500       1.154900    
 H   -5.223500       1.579600       2.191000    


%chk=000101421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101421

0 1
O -0.303659 1.699273 -1.297898
O -2.307945 -2.324321 0.168255
N 1.120320 -0.035698 -0.638874
N -1.285719 -0.319115 -0.587522
N 0.602468 -3.318376 0.611544
N 2.410101 -2.008535 0.158107
C 2.322906 0.798485 -0.891373
C -2.629212 0.278039 -0.828465
C 1.233077 -1.322048 -0.135724
C -0.161999 0.520127 -0.863771
C 2.726003 1.643383 0.335905
C 0.100499 -2.103976 0.133010
C -3.169527 1.029254 0.407244
C -1.253397 -1.656952 -0.067792
C 3.971469 2.510398 0.042824
C -4.561393 1.641977 0.133681
C 1.983355 -3.216295 0.607957
C 4.386788 3.373312 1.253443
C -5.134863 2.376995 1.363978
H 3.140382 0.111738 -1.171663
H 2.087264 1.458310 -1.743488
H -2.533610 0.968510 -1.682713
H -3.304126 -0.554209 -1.091652
H 2.933204 0.971984 1.191942
H 1.878209 2.296246 0.619347
H -2.459242 1.831933 0.684399
H -3.234014 0.326680 1.260521
H 3.763689 3.167493 -0.825890
H 4.815729 1.854354 -0.251965
H -5.261535 0.839875 -0.176886
H -4.490042 2.347063 -0.719180
H 0.030075 -4.112041 0.899188
H 2.641172 -4.018943 0.931035
H 4.625360 2.740189 2.128562
H 5.278777 3.984896 1.025187
H 3.571495 4.060390 1.547545
H -4.466280 3.198757 1.682462
H -6.126940 2.813460 1.146454
H -5.249736 1.686089 2.220166


