%chk=000039550.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039550

0 1
 O   0.7584000      0.7086000       2.106800    
 O    1.327100      -2.517100      -1.216200    
 N    1.079400      -1.016600      0.5677000    
 N   -4.138100      0.2965000      2.6600000E-02
 C    2.629800      0.8067000     -0.9680000    
 C    2.635900      0.9287000      0.5790000    
 C    2.891200     -0.7081000      -1.070100    
 C    3.868600      9.5899999E-02   1.010900    
 C    4.034300     -0.9733000     -7.7900000E-02
 C    1.395500      0.2211000       1.171300    
 C    3.773600       1.594200      -1.653000    
 C    1.324600       1.262700      -1.647700    
 C    1.686900      -1.512600     -0.6021000    
 C    2.724900       2.361600       1.108700    
 C   5.4000001E-02  -1.836700       1.199300    
 C   -1.264500      -1.545200      0.6389000    
 C   -2.349300      -1.307700      0.1809000    
 C   -3.672700      -1.023000     -0.3811000    
 C   -5.460200      0.5748000     -0.5379000    
 C   -3.184400       1.329500     -0.3828000    
 C   -6.468100     -0.4295000     -8.1400000E-02
 C   -3.647100       2.689600      2.8100001E-02
 H    3.152400      -1.025000      -2.085600    
 H    3.733300     -0.3688000       1.994600    
 H    4.776000      0.7088000       1.066400    
 H    5.007600     -0.8590000     -0.5686000    
 H    4.001700      -1.981900      0.3492000    
 H    3.594200       2.674100      -1.605500    
 H    4.754100       1.410000      -1.204900    
 H    3.846000       1.322800      -2.712900    
 H    1.184600       2.343900      -1.537300    
 H    1.352500       1.039900      -2.720600    
 H   0.4263000      0.7858000      -1.247400    
 H    3.628200       2.872600      0.7611000    
 H    1.858300       2.953600      0.7953000    
 H    2.751300       2.376400       2.204600    
 H   5.1500000E-02  -1.654200       2.279600    
 H   0.2965000      -2.894800       1.049200    
 H   -4.335300      -1.811500     -8.8000000E-03
 H   -3.636200      -1.115600      -1.474200    
 H   -5.434900      0.6119000      -1.634400    
 H   -5.836500       1.541200     -0.1876000    
 H   -3.008600       1.311000      -1.466300    
 H   -2.214100       1.177000      0.1031000    
 H   -6.356300      -1.398700     -0.5777000    
 H   -6.434400     -0.5843000       1.002900    
 H   -7.478200     -7.8500003E-02 -0.3229000    
 H   -4.448400       3.078000     -0.6086000    
 H   -3.978000       2.717300       1.072300    
 H   -2.819200       3.403100     -6.1299998E-02


%chk=000039550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039550

0 1
O 0.873266 0.917356 1.965316
O 1.532233 -2.840309 -0.709575
N 1.219587 -0.980764 0.668990
N -4.371516 0.410278 -0.007342
C 2.828172 0.558860 -1.120317
C 2.791681 0.981019 0.402863
C 3.112986 -0.969698 -0.941664
C 4.049175 0.242633 1.005587
C 4.271002 -1.019068 0.114798
C 1.553545 0.344059 1.072758
C 4.001914 1.231598 -1.877368
C 1.523563 0.864836 -1.896458
C 1.901684 -1.687274 -0.361010
C 2.795696 2.492502 0.679564
C 0.014550 -1.617569 1.282071
C -1.236736 -1.261751 0.591022
C -2.297934 -0.964092 0.038405
C -3.544675 -0.636711 -0.674946
C -5.666072 0.589335 -0.719175
C -3.620052 1.687874 0.152020
C -6.615449 -0.617615 -0.588068
C -4.274811 2.654615 1.155758
H 3.374136 -1.480112 -1.882912
H 3.893270 -0.011383 2.068583
H 4.918046 0.923582 0.964603
H 5.244286 -0.978284 -0.403560
H 4.252348 -1.958736 0.692830
H 3.810915 2.310664 -2.015466
H 4.970558 1.123921 -1.359724
H 4.104022 0.782054 -2.882810
H 1.363181 1.956462 -1.963532
H 1.596042 0.475658 -2.928870
H 0.624517 0.420681 -1.434475
H 3.724098 2.953418 0.299854
H 1.932023 2.993701 0.207547
H 2.725360 2.685500 1.762984
H -0.031746 -1.283312 2.332772
H 0.175786 -2.708860 1.242327
H -4.151518 -1.557387 -0.753964
H -3.278284 -0.341991 -1.726622
H -5.503726 0.826199 -1.804975
H -6.163978 1.468739 -0.275355
H -3.477771 2.201366 -0.835592
H -2.614367 1.424398 0.526133
H -6.251868 -1.508968 -1.130234
H -6.739231 -0.886281 0.475545
H -7.607955 -0.365104 -1.004710
H -5.247139 3.044146 0.803503
H -4.435749 2.141657 2.119745
H -3.612867 3.523357 1.326847


