%chk=000086311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086311

0 1
 O    4.911600      0.2305000     -6.2000002E-03
 C   -1.125200       1.429700      9.4999997E-03
 C   -2.445300      0.6597000     -0.3325000    
 C   -1.372600      -1.635800      1.5200000E-02
 C   -2.509700     -0.6739000      0.4171000    
 C   9.8399997E-02  0.4870000      1.0000000E-03
 C  -1.8400000E-02 -0.9236000      2.3000001E-03
 C   -1.196200       2.101000       1.401600    
 C  -0.9472000       2.544200      -1.056700    
 C   -3.741100       1.438800     -5.5599999E-02
 C   -1.642400      -2.221700      -1.388400    
 C   -1.405300      -2.797500       1.038500    
 C    1.397700       1.047800      2.3100000E-02
 C    1.161800      -1.701500     -4.2700000E-02
 C    2.545800      0.2577000      1.9999999E-04
 C    2.427400      -1.120200     -4.2700000E-02
 C    3.860900      0.8778000      1.6200000E-02
 H   -2.445500      0.4450000      -1.409400    
 H   -2.476800     -0.4832000       1.498200    
 H   -3.478200      -1.158400      0.2318000    
 H  -0.2741000       2.645200       1.638000    
 H   -2.008100       2.833300       1.458800    
 H   -1.344000       1.366100       2.200100    
 H  -9.5600002E-02   3.198800     -0.8448000    
 H  -0.7908000       2.114000      -2.053100    
 H   -1.820700       3.201100      -1.110400    
 H   -3.754600       2.408300     -0.5595000    
 H   -4.605900      0.8754000     -0.4250000    
 H   -3.897900       1.602900       1.015300    
 H   -2.639100      -2.674200      -1.443100    
 H   -1.575700      -1.460100      -2.172800    
 H  -0.9168000      -3.003100      -1.644000    
 H  -0.7360000      -3.619200      0.7631000    
 H   -1.113100      -2.453700       2.037800    
 H   -2.412300      -3.225300       1.113400    
 H    1.520500       2.127700      6.6600002E-02
 H    1.108800      -2.786500     -8.4100001E-02
 H    3.300900      -1.765600     -7.2700001E-02
 H    3.889000       1.980300      4.9600001E-02


%chk=000086311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086311

0 1
O 4.994883 0.302347 -0.059704
C -1.128969 1.450805 0.025221
C -2.443721 0.675981 -0.346557
C -1.389839 -1.666853 0.022830
C -2.521298 -0.672947 0.396873
C 0.086010 0.484961 0.000123
C -0.030056 -0.940885 0.000558
C -1.222337 2.088475 1.445665
C -0.918952 2.589673 -1.018652
C -3.743659 1.478503 -0.102694
C -1.657276 -2.283642 -1.385216
C -1.397083 -2.813056 1.076172
C 1.390769 1.042922 0.002755
C 1.156484 -1.731998 -0.045742
C 2.560705 0.249534 -0.027032
C 2.436053 -1.164344 -0.061422
C 3.887781 0.906592 -0.029690
H -2.384475 0.465388 -1.435937
H -2.496180 -0.488732 1.490547
H -3.495953 -1.156612 0.185634
H -0.259078 2.551828 1.725436
H -1.996517 2.876032 1.473426
H -1.463685 1.336402 2.218240
H -0.071510 3.246848 -0.756226
H -0.729930 2.174519 -2.025560
H -1.815315 3.232513 -1.072442
H -3.724771 2.477908 -0.572403
H -4.606739 0.932059 -0.526366
H -3.937961 1.613511 0.977348
H -2.614433 -2.838593 -1.380333
H -1.710003 -1.507293 -2.169078
H -0.854079 -2.988085 -1.667794
H -0.717257 -3.640641 0.806481
H -1.102171 -2.438550 2.073337
H -2.416375 -3.235986 1.154932
H 1.512944 2.133341 0.022672
H 1.062575 -2.823164 -0.063172
H 3.343207 -1.776989 -0.095165
H 3.852409 2.027030 -0.003365


