%chk=000058773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058773

0 1
 O   0.6852000     -0.8246000     -0.8743000    
 O    2.511000     -0.1215000       2.135000    
 O   0.2977000      -1.366000       1.332100    
 N   -2.657900     -0.5358000      -1.671700    
 C    3.444600     -0.9800000      0.1196000    
 C    3.477000      -2.408400      0.6536000    
 C    4.834000     -0.4653000      0.4825000    
 C    2.323100     -0.1446000      0.7118000    
 C    4.877200      -2.900600      0.3022000    
 C    5.753400      -1.650600      0.2039000    
 C  -0.5301000      -1.462100      -1.241900    
 C   0.9842000     -0.8487000      0.4593000    
 C    2.247900       1.317200      0.2664000    
 C  -0.7652000      -1.328800      -2.744500    
 C   -1.702200     -0.7393000     -0.5806000    
 C   -1.846500     -0.2659000      -2.857200    
 C   -3.607400      0.5301000      -1.390300    
 C    1.840500       2.263700       1.178400    
 C    2.590800       1.630000      -1.029000    
 C   -4.434400      0.2364000     -0.1670000    
 C    1.771900       3.596500      0.7726000    
 C    2.522400       2.962700      -1.434700    
 C    2.113000       3.946000     -0.5339000    
 C   -5.633600     -0.4495000     -0.3014000    
 C   -3.985800      0.6549000       1.078000    
 C   -6.399700     -0.7220000      0.8318000    
 C   -4.752000      0.3822000       2.211300    
 C   -5.959000     -0.3062000       2.088100    
 H    3.361600      -1.046600     -0.9735000    
 H    3.347500      -2.444000       1.741700    
 H    2.708300      -3.046200      0.2053000    
 H    5.130000      0.4109000     -0.1023000    
 H    4.910700     -0.1971000       1.542700    
 H    5.253300      -3.604200       1.051700    
 H    4.867100      -3.422300     -0.6619000    
 H    6.180400      -1.575200     -0.8029000    
 H    6.587600      -1.682100      0.9121000    
 H  -0.4831000      -2.524100     -0.9705000    
 H   -1.144500      -2.277900      -3.143400    
 H   0.1363000      -1.052800      -3.300100    
 H   -1.376500      0.2153000     -0.1483000    
 H   -2.133500      -1.364700      0.2081000    
 H   -2.418700     -0.3706000      -3.784200    
 H   -1.397200      0.7350000      -2.827300    
 H    1.641900     -0.1197000       2.571200    
 H   -3.103200       1.498900      -1.266300    
 H   -4.281300      0.6587000      -2.248000    
 H    1.548800       2.030800       2.196600    
 H    2.896200      0.8887000      -1.758100    
 H    1.448600       4.361900       1.472100    
 H    2.783700       3.234700      -2.453300    
 H    2.057800       4.983400     -0.8506000    
 H   -5.985300     -0.7797000      -1.274800    
 H   -3.056200       1.205100       1.190300    
 H   -7.339300      -1.258300      0.7361000    
 H   -4.410600      0.7087000       3.189200    
 H   -6.555800     -0.5180000       2.970500    


%chk=000058773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058773

0 1
O 0.669402 -1.443276 -0.368737
O 3.111401 -0.671449 2.233076
O 0.727570 -1.836845 1.924528
N -2.437420 -0.827824 -1.378162
C 3.514960 -0.876272 -0.172731
C 3.914202 -2.385885 -0.101695
C 4.859953 -0.105801 -0.097089
C 2.497616 -0.443428 0.925385
C 5.442257 -2.447840 -0.434053
C 5.821364 -1.013159 -0.899256
C -0.651805 -2.177709 -0.468459
C 1.213969 -1.313948 0.887727
C 2.089989 1.044934 0.770850
C -0.845544 -2.461597 -1.967348
C -1.807851 -1.221334 -0.082597
C -1.495418 -1.159535 -2.476325
C -3.016157 0.525177 -1.414788
C 2.393331 1.962197 1.804598
C 1.444447 1.515236 -0.402274
C -4.236436 0.678386 -0.508616
C 2.054580 3.327944 1.671969
C 1.107388 2.880340 -0.533782
C 1.410021 3.793389 0.503432
C -5.184378 -0.369747 -0.395407
C -4.458368 1.882642 0.202781
C -6.337652 -0.211632 0.403885
C -5.614203 2.045573 1.001246
C -6.558943 0.998850 1.103325
H 3.042012 -0.669277 -1.151991
H 3.726583 -2.776739 0.914479
H 3.314528 -2.985138 -0.810603
H 4.787463 0.920515 -0.497580
H 5.186197 -0.042737 0.957675
H 6.015054 -2.705418 0.475976
H 5.678035 -3.211962 -1.196543
H 5.631145 -0.898328 -1.984967
H 6.885409 -0.774587 -0.721091
H -0.579180 -3.066333 0.178081
H -1.547810 -3.305840 -2.085782
H 0.105087 -2.711494 -2.464992
H -1.401737 -0.346102 0.472390
H -2.542244 -1.714680 0.579076
H -2.037821 -1.290429 -3.429569
H -0.710338 -0.376526 -2.628108
H 2.418639 -1.097407 2.812510
H -2.260865 1.308577 -1.146109
H -3.318338 0.722724 -2.463618
H 2.904582 1.590524 2.697025
H 1.198663 0.815322 -1.207890
H 2.297566 4.027655 2.479804
H 0.611114 3.231689 -1.445960
H 1.148098 4.852619 0.401000
H -4.994345 -1.304437 -0.935492
H -3.722513 2.694190 0.136557
H -7.063062 -1.029655 0.483729
H -5.772507 2.982446 1.547623
H -7.452994 1.121841 1.725086


