%chk=000123686.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123686

0 1
 O   -2.987800       1.473200      0.2345000    
 O   -5.496100      0.2775000      0.3359000    
 O    1.486900      -2.728400      0.7132000    
 N   -2.684500      -1.935200     -0.6175000    
 N   8.5199997E-02  -2.519200      -1.114200    
 N    1.928800      -1.149800     -0.9671000    
 N  -0.9864000     -0.4305000       2.530900    
 C   -4.486700     -0.2364000     -0.5378000    
 C   -3.761300      -1.373200      0.1863000    
 C   -1.975300      -2.975200      0.1155000    
 C   -3.562700      0.9107000     -0.9409000    
 C  -0.8473000      -3.544400     -0.7323000    
 C   -1.734100       2.009200      0.1103000    
 C    1.209600      -2.176500     -0.3490000    
 C  -0.6621000       1.522600      0.8587000    
 C   -1.539000       3.061300     -0.7847000    
 C    3.116300     -0.5279000     -0.5156000    
 C   0.6045000       2.088100      0.7119000    
 C  -0.2724000       3.626600     -0.9314000    
 C   0.7994000       3.140000     -0.1832000    
 C    3.700100      0.4905000      -1.269100    
 C    3.703100     -0.9324000      0.6835000    
 C    4.870900       1.104100     -0.8238000    
 C    4.874000     -0.3186000       1.128700    
 C    5.457800      0.6997000      0.3751000    
 C  -0.8412000      0.4441000       1.782000    
 H   -4.989700     -0.6304000      -1.428800    
 H   -3.387200      -1.008600       1.149400    
 H   -4.496000      -2.151500      0.4318000    
 H   -1.560700      -2.576400       1.045900    
 H   -2.661200      -3.788800      0.3801000    
 H   -3.061500      -2.314100      -1.485600    
 H   -4.147900       1.696300      -1.433200    
 H   -2.793800      0.5618000      -1.641400    
 H   -1.236600      -3.993600      -1.652600    
 H  -0.3195000      -4.325200     -0.1740000    
 H  -9.0000004E-02  -2.008700      -1.974200    
 H   -5.972800      0.9748000     -0.1459000    
 H   -2.365400       3.457600      -1.368400    
 H    1.559600     -0.8004000      -1.847700    
 H    1.450100       1.722100       1.289500    
 H  -0.1209000       4.446800      -1.626900    
 H    1.785800       3.580100     -0.2973000    
 H    3.252000      0.8164000      -2.204300    
 H    3.310800      -1.711400       1.321700    
 H    5.325000       1.897600      -1.410100    
 H    5.331800     -0.6322000       2.062500    
 H    6.369000       1.177900      0.7220000    


%chk=000123686-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123686

0 1
O -2.847623 1.100984 0.025194
O -5.657648 0.261046 -0.624024
O 2.022738 -3.237824 -0.055654
N -2.861572 -2.190644 -0.609719
N -0.056727 -2.196337 -0.207936
N 1.875691 -0.889863 -0.364949
N -2.593113 1.164879 3.526060
C -4.427956 -0.332998 -1.156585
C -4.088453 -1.477997 -0.182744
C -2.246691 -3.071603 0.420069
C -3.273814 0.667373 -1.314288
C -0.808915 -3.434849 0.007503
C -1.695906 1.869625 0.136191
C 1.332052 -2.182165 -0.203801
C -1.267106 2.145563 1.473879
C -0.953358 2.376929 -0.959192
C 3.243525 -0.533662 -0.502345
C -0.109158 2.937680 1.687236
C 0.196789 3.163897 -0.722830
C 0.622675 3.448630 0.594988
C 3.550476 0.852686 -0.603727
C 4.298787 -1.486147 -0.549107
C 4.884755 1.280559 -0.755220
C 5.628669 -1.039002 -0.702982
C 5.937223 0.337002 -0.808262
C -2.000980 1.610163 2.587334
H -4.611789 -0.744706 -2.178340
H -3.908462 -1.031688 0.809600
H -4.984610 -2.131574 -0.100602
H -2.220898 -2.506053 1.369506
H -2.824983 -4.005989 0.601618
H -3.010817 -2.711640 -1.487495
H -3.589242 1.550158 -1.910253
H -2.433094 0.155180 -1.822861
H -0.815960 -4.064661 -0.908898
H -0.313415 -4.028588 0.795074
H -0.630482 -1.402069 -0.510094
H -5.920043 1.045869 -1.168300
H -1.271053 2.182213 -1.987062
H 1.221281 -0.104008 -0.331612
H 0.208208 3.139827 2.714763
H 0.756636 3.560237 -1.576916
H 1.512584 4.060163 0.770271
H 2.739861 1.591580 -0.556167
H 4.061498 -2.546988 -0.452618
H 5.102243 2.352403 -0.830206
H 6.434206 -1.781736 -0.736974
H 6.974571 0.668142 -0.925127


