%chk=000152222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152222

0 1
 O  -0.3854000      -1.469900     -0.3703000    
 O   -2.769200     -9.9299997E-02  -1.026800    
 O   -1.491200      -4.022700     -0.2764000    
 O   0.6499000     -0.8206000       1.586000    
 O   -4.075400      0.4949000      0.7791000    
 C    3.135400     -0.4460000      0.2444000    
 C    4.344500     -0.2696000     -0.6793000    
 C   -1.877000       2.615800     -0.9817000    
 C   -1.119200       2.632400      0.3494000    
 C    1.873800     -0.8544000     -0.5160000    
 C   -1.598000      -1.709000      0.3480000    
 C   -3.329700       2.168000     -0.8217000    
 C    5.596800      0.1054000      0.1137000    
 C   0.3188000       3.116100      0.1616000    
 C   -2.777000      -1.460900     -0.5859000    
 C   0.6668000      -1.024500      0.3799000    
 C   -1.574100      -3.148700      0.8444000    
 C   -3.464200      0.7770000     -0.2424000    
 C    6.810900      0.2383000     -0.7917000    
 C    1.063600       3.177800       1.485700    
 H    3.360900      -1.204300       1.004900    
 H    2.949000      0.4905000      0.7848000    
 H    4.129600      0.5084000      -1.421800    
 H    4.522400      -1.201900      -1.228900    
 H   -1.868300       3.621300      -1.419400    
 H   -1.356300       1.958800      -1.688800    
 H   -1.105400       1.630200      0.7921000    
 H   -1.639100       3.290400       1.056300    
 H    2.052500      -1.806700      -1.028400    
 H    1.632300     -9.0499997E-02  -1.263700    
 H   -1.679900      -1.021100       1.198400    
 H   -3.846200       2.186400      -1.787900    
 H   -3.861300       2.861800     -0.1600000    
 H    5.799400     -0.6582000      0.8737000    
 H    5.433400       1.052600      0.6408000    
 H   0.3211000       4.111800     -0.2970000    
 H   0.8512000       2.443200     -0.5206000    
 H   -2.682300      -2.064100      -1.495700    
 H   -3.733400      -1.726300     -0.1201000    
 H   -2.481800      -3.385400       1.408300    
 H  -0.7006000      -3.334500       1.477100    
 H    7.021100     -0.7042000      -1.307300    
 H    6.653800       1.015500      -1.546400    
 H    7.694000      0.5085000     -0.2044000    
 H   0.5780000       3.873900       2.177000    
 H    1.101700       2.192400       1.960600    
 H    2.091700       3.517800       1.326700    
 H   -1.480500      -4.930800      7.1199998E-02


%chk=000152222-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152222

0 1
O -0.307682 -1.876675 -0.299492
O -2.597795 -0.178969 -1.204503
O -2.140829 -4.240766 -0.085450
O 0.468148 -0.409876 1.347866
O -3.970409 0.376405 0.597294
C 3.118663 -0.355603 0.140107
C 4.375470 -0.331803 -0.757416
C -1.678550 2.642811 -0.925957
C -1.060419 2.716510 0.487437
C 1.935594 -1.074682 -0.536453
C -1.666339 -1.899286 0.325632
C -3.152074 2.147594 -0.933924
C 5.579873 0.369717 -0.089228
C 0.396334 3.234413 0.476154
C -2.674316 -1.604284 -0.788535
C 0.663677 -1.058069 0.293082
C -1.908803 -3.257887 0.981752
C -3.307072 0.734172 -0.403806
C 6.832504 0.401452 -0.991352
C 1.043339 3.214988 1.877720
H 3.353489 -0.854581 1.100400
H 2.820647 0.678895 0.398546
H 4.139226 0.181999 -1.713051
H 4.662505 -1.370481 -1.025591
H -1.651849 3.646804 -1.394797
H -1.072929 1.972338 -1.565181
H -1.072549 1.714365 0.959479
H -1.681012 3.374448 1.130804
H 2.183230 -2.127658 -0.770619
H 1.699115 -0.603502 -1.512030
H -1.698438 -1.118382 1.106778
H -3.539197 2.171267 -1.970411
H -3.784504 2.802867 -0.310616
H 5.820054 -0.146968 0.862189
H 5.292317 1.405396 0.183961
H 0.420322 4.262528 0.058955
H 0.996626 2.603481 -0.212476
H -2.435778 -2.179707 -1.692530
H -3.696454 -1.831743 -0.439527
H -2.800087 -3.171552 1.639868
H -1.028620 -3.523005 1.601714
H 7.156822 -0.622821 -1.256039
H 6.628224 0.942149 -1.934801
H 7.679577 0.905031 -0.490435
H 0.469524 3.839786 2.588345
H 1.067507 2.182720 2.272757
H 2.080046 3.599777 1.852107
H -2.200026 -5.148010 0.302773


