%chk=000092378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092378

0 1
 O    1.858400       3.717200     -0.4289000    
 O   -4.955600     -0.5438000      0.6623000    
 O   -1.482400      -1.626800      -1.516100    
 O  -0.4979000      0.9299000       2.179200    
 N   0.6419000      0.5636000      0.1605000    
 N   -1.317400     -0.4557000      0.4908000    
 C   0.4480000     -0.2028000      -1.067200    
 C    1.513600      -1.279300      -1.258400    
 C    1.800700       1.403100      0.4069000    
 C  -0.8980000     -0.8647000     -0.7556000    
 C   0.3052000      0.6907000      -2.296800    
 C    1.402500       2.827100      0.5978000    
 C    2.010300      -1.901500      6.1400000E-02
 C  -0.4072000      0.4042000       1.076300    
 C   -2.558700     -0.8750000       1.111500    
 C   -3.666600      6.9600001E-02  0.7905000    
 C    2.425700       3.889700      0.8762000    
 C    3.408600      -2.510400     -0.1738000    
 C   -4.381000      1.0100000E-02 -0.5284000    
 C  -0.7253000       1.780600      -2.072500    
 C    1.025200      -2.942300      0.6021000    
 C    4.050100      -3.083500       1.082300    
 H    2.373800     -0.8091000      -1.754500    
 H    1.166900      -2.062600      -1.944800    
 H    2.531700       1.281000     -0.3987000    
 H    2.258600       1.055700       1.339800    
 H   1.5500000E-02  9.6000001E-02  -3.171700    
 H    1.263900       1.166000      -2.537000    
 H   0.4181000       2.989500       1.013900    
 H    2.153200      -1.154300      0.8440000    
 H   -2.795000      -1.888200      0.7663000    
 H   -2.417200     -0.9078000       2.197200    
 H   -3.600100       1.018500       1.304800    
 H    3.457400       3.594800       1.016700    
 H    2.118700       4.759300       1.442500    
 H   -4.044500     -0.6848000      -1.285600    
 H   -4.814300      0.9241000     -0.9135000    
 H    3.353600      -3.295700     -0.9377000    
 H    4.077200      -1.733300     -0.5653000    
 H  -0.4865000       2.448600      -1.245300    
 H  -0.7877000       2.405300      -2.971000    
 H   -1.726700       1.371800      -1.906600    
 H    1.421800      -3.444700       1.489400    
 H   7.9000004E-02  -2.511600      0.9209000    
 H   0.8159000      -3.713100     -0.1473000    
 H    4.041900      -2.355300       1.899200    
 H    3.545000      -3.993500       1.417500    
 H    5.092700      -3.349600      0.8788000    


%chk=000092378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092378

0 1
O 2.052040 3.400397 -0.807697
O -5.229874 -0.654390 0.640515
O -1.438193 -1.562207 -1.458091
O -0.757517 1.008659 2.427841
N 0.565770 0.685415 0.477084
N -1.432824 -0.368202 0.587796
C 0.456922 -0.049926 -0.815917
C 1.630858 -1.045322 -1.063971
C 1.701690 1.504582 0.908777
C -0.898449 -0.775964 -0.638859
C 0.343379 0.917953 -2.040908
C 1.573340 2.981761 0.568116
C 2.127078 -1.920997 0.119009
C -0.544553 0.514793 1.288956
C -2.732076 -0.793616 1.125581
C -3.882744 0.015124 0.537376
C 2.793469 3.837770 0.434544
C 3.457734 -2.609013 -0.305532
C -4.576654 -0.436470 -0.709595
C -0.867191 1.871367 -2.013140
C 1.076235 -2.958553 0.582294
C 4.181306 -3.366389 0.829008
H 2.485432 -0.453539 -1.452507
H 1.306043 -1.704677 -1.893382
H 2.627251 1.105685 0.456741
H 1.782131 1.410883 2.009554
H 0.295628 0.281937 -2.945052
H 1.277778 1.507333 -2.091772
H 0.629986 3.457264 0.865056
H 2.357097 -1.258238 0.981026
H -2.880917 -1.861973 0.889332
H -2.696781 -0.664289 2.221269
H -3.895694 1.082150 0.797269
H 3.785926 3.383962 0.556631
H 2.729282 4.908607 0.659598
H -4.220436 -1.346471 -1.206018
H -5.079226 0.303010 -1.344487
H 3.249160 -3.306407 -1.143247
H 4.142683 -1.835130 -0.710285
H -0.866960 2.501991 -1.106253
H -0.829407 2.550018 -2.883202
H -1.824694 1.320583 -2.057626
H 1.481438 -3.601521 1.383193
H 0.168214 -2.478469 0.985582
H 0.768494 -3.608229 -0.258651
H 4.368689 -2.701888 1.694127
H 3.594385 -4.230062 1.188723
H 5.157751 -3.752301 0.483294


