%chk=000151043.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151043

0 1
 O    4.963200       1.059800     -0.8286000    
 O   -5.732600     -0.2091000     -0.4287000    
 C   0.6320000     -0.7730000      0.3500000    
 C  -0.1867000      0.4552000     -0.1674000    
 C    2.028800     -0.7152000     -0.2743000    
 C    2.783500      0.5667000      0.1329000    
 C   -1.663600      0.4756000      0.3788000    
 C   0.5786000       1.794000      3.1800002E-02
 C    2.036700       1.755900     -0.4620000    
 C  -9.2000000E-02  -2.080100      2.0000001E-03
 C    3.027700      -1.836500     -1.0500000E-02
 C   -2.303200     -0.8997000      0.1424000    
 C   -1.504000      -2.104000      0.5766000    
 C   -2.458800       1.589200     -0.3718000    
 C    4.130100      0.2327000     -0.4831000    
 C    4.333300      -1.269500     -0.5875000    
 C    3.025800      0.7550000       1.641900    
 C   -1.714800      0.7754000       1.895600    
 C   -3.969200       1.413600     -0.2652000    
 C   -3.514300      -1.057700     -0.4235000    
 C   -4.400600      7.1699999E-02 -0.8493000    
 H   0.7233000     -0.7256000       1.440500    
 H  -0.2638000      0.3247000      -1.259600    
 H    1.884200     -0.7039000      -1.368900    
 H   0.5738000       2.076100       1.089500    
 H   6.6100001E-02   2.600500     -0.5043000    
 H    2.046300       1.700600      -1.558500    
 H    2.537800       2.697000     -0.2046000    
 H   0.4637000      -2.936700      0.4010000    
 H  -0.1351000      -2.208400      -1.087400    
 H    2.753100      -2.771500     -0.5086000    
 H    3.127800      -2.045900       1.059900    
 H   -1.456400      -2.127700       1.672000    
 H   -1.991500      -3.037800      0.2711000    
 H   -2.189700       1.589600      -1.436900    
 H   -2.191600       2.580300      1.4400000E-02
 H    4.447000      -1.538000      -1.641700    
 H    5.201800      -1.589500     -7.7999998E-03
 H    3.592200       1.676900       1.821800    
 H    2.098300      0.8263000       2.215900    
 H    3.617500     -5.8699999E-02   2.075000    
 H   -1.408400       1.803600       2.114700    
 H   -2.728400      0.6530000       2.295000    
 H   -1.065500      0.1117000       2.474600    
 H   -4.297300       1.503300      0.7779000    
 H   -4.480800       2.223200     -0.8004000    
 H   -3.895400      -2.062600     -0.5914000    
 H   -4.402600      0.1281000      -1.944100    
 H   -6.020900      -1.023500     -0.8756000    


%chk=000151043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000151043

0 1
O 5.021909 1.134172 -0.915564
O -5.841953 -0.110337 -0.439835
C 0.633270 -0.797531 0.367054
C -0.187089 0.428672 -0.161200
C 2.043077 -0.737559 -0.254633
C 2.800799 0.579298 0.085523
C -1.672743 0.466065 0.389498
C 0.565391 1.779758 0.032167
C 2.023371 1.771676 -0.506653
C -0.089102 -2.117832 0.017317
C 3.079706 -1.858669 0.027260
C -2.324058 -0.904699 0.116097
C -1.538647 -2.129492 0.559434
C -2.463630 1.585512 -0.360109
C 4.191195 0.286007 -0.510891
C 4.400938 -1.247239 -0.522700
C 3.057160 0.783553 1.613877
C -1.713040 0.742643 1.925202
C -3.993996 1.429377 -0.251885
C -3.543015 -1.035293 -0.477212
C -4.443383 0.111942 -0.892077
H 0.720929 -0.736154 1.472577
H -0.282212 0.267859 -1.261257
H 1.893664 -0.725044 -1.360819
H 0.580416 2.050907 1.104981
H 0.008830 2.585824 -0.480896
H 2.012830 1.684989 -1.612048
H 2.524112 2.728590 -0.266903
H 0.469611 -2.980061 0.430579
H -0.107682 -2.239725 -1.085995
H 2.823345 -2.809247 -0.471106
H 3.155744 -2.065502 1.111371
H -1.495468 -2.157584 1.669041
H -2.062518 -3.050241 0.241102
H -2.174406 1.571769 -1.432199
H -2.170394 2.575404 0.035922
H 4.586948 -1.554750 -1.570170
H 5.307641 -1.517331 0.048115
H 3.660534 1.697183 1.761492
H 2.112234 0.901843 2.170037
H 3.607926 -0.060783 2.066144
H -1.301246 1.740198 2.162718
H -2.753973 0.712709 2.292079
H -1.139791 -0.005460 2.500723
H -4.316475 1.413947 0.805558
H -4.510581 2.278455 -0.735185
H -3.934576 -2.047513 -0.670802
H -4.444086 0.205375 -2.003014
H -6.172114 -0.960580 -0.829116


