%chk=000119477.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119477

0 1
 O    6.163100      0.2362000     -0.3639000    
 O   -5.939400     -2.9300001E-02 -0.7821000    
 N   -3.867400     -0.9145000     -0.4018000    
 C   0.4454000     -0.5123000     -0.2297000    
 C    1.959200     -0.4206000      0.1982000    
 C  -0.4208000      0.6428000      0.3673000    
 C    2.481500      0.9857000     -0.2312000    
 C   -1.885000      0.5315000     -0.1487000    
 C   -2.525500     -0.8396000      0.1934000    
 C  -0.1959000      -1.887200      4.6399999E-02
 C   0.1982000       2.015400      4.0800001E-02
 C    1.676000       2.117100      0.4082000    
 C    2.808300      -1.486900     -0.5533000    
 C   -1.651600      -1.952800     -0.4155000    
 C    3.985600       1.167100      8.8999998E-03
 C   -2.819300       1.649700      0.3286000    
 C    2.115600     -0.6595000       1.722200    
 C    4.316800      -1.315400     -0.3616000    
 C    4.791100      9.0800002E-02 -0.7149000    
 C   -2.694200      -1.085300       1.710200    
 C   -4.189800       1.532400     -0.3285000    
 C   -4.752100      0.1347000     -0.4933000    
 H   0.4232000     -0.3838000      -1.323500    
 H  -0.4372000      0.5536000       1.459000    
 H    2.334500       1.073300      -1.319200    
 H   -1.838700      0.6162000      -1.246300    
 H  -0.1442000      -2.132300       1.111700    
 H   0.3532000      -2.674300     -0.4813000    
 H  -0.3307000       2.808800      0.5798000    
 H   8.0799997E-02   2.225000      -1.030100    
 H    2.056300       3.086200      6.2100001E-02
 H    1.792200       2.113300       1.498000    
 H    2.587000      -1.438000      -1.627700    
 H    2.539400      -2.497600     -0.2254000    
 H   -1.678200      -1.882900      -1.511800    
 H   -2.063800      -2.940300     -0.1706000    
 H    4.308800       2.152000     -0.3531000    
 H    4.223300       1.167500       1.079500    
 H   -2.419100       2.636300      7.4000001E-02
 H   -2.919300       1.634500       1.419400    
 H    3.141200     -0.4997000       2.066200    
 H    1.480500     -6.9999998E-04   2.319700    
 H    1.858200      -1.689700       1.990300    
 H    4.603200      -1.558800      0.6688000    
 H    4.849700      -2.045700     -0.9836000    
 H    4.707900      0.2455000      -1.797500    
 H   -4.248700      -1.842600     -0.5599000    
 H   -1.756700     -0.9987000       2.264900    
 H   -3.412200     -0.3925000       2.161600    
 H   -3.087900      -2.092900       1.893000    
 H   -4.134600       1.958800      -1.338200    
 H   -4.914000       2.129700      0.2372000    
 H    6.661500     -0.4501000     -0.8395000    


%chk=000119477-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119477

0 1
O 6.224815 0.290263 -0.447301
O -5.958464 -0.059760 -0.957173
N -3.886653 -0.910476 -0.369596
C 0.445828 -0.504745 -0.205155
C 1.962340 -0.422937 0.222801
C -0.427061 0.644264 0.407079
C 2.493593 0.993159 -0.206644
C -1.892473 0.533200 -0.113901
C -2.526640 -0.851136 0.239031
C -0.190871 -1.896301 0.055164
C 0.186328 2.032192 0.081634
C 1.682760 2.130045 0.448106
C 2.792175 -1.488075 -0.564363
C -1.661102 -1.963142 -0.409580
C 4.017333 1.160680 -0.000726
C -2.846121 1.670327 0.322902
C 2.128503 -0.672520 1.747920
C 4.322247 -1.330997 -0.378546
C 4.797124 0.083487 -0.764661
C -2.672765 -1.100295 1.768112
C -4.200745 1.558541 -0.415327
C -4.761272 0.142134 -0.581640
H 0.430577 -0.345285 -1.310138
H -0.439416 0.533757 1.511810
H 2.308161 1.062194 -1.304810
H -1.837236 0.566615 -1.226411
H -0.127856 -2.146184 1.131502
H 0.379058 -2.677461 -0.480796
H -0.370058 2.826864 0.612855
H 0.066689 2.229240 -1.005801
H 2.082077 3.108609 0.114532
H 1.809138 2.102965 1.549077
H 2.545649 -1.403189 -1.644836
H 2.503262 -2.509587 -0.252445
H -1.711479 -1.841119 -1.510255
H -2.087719 -2.959451 -0.171059
H 4.335996 2.159351 -0.356098
H 4.291475 1.105318 1.070547
H -2.406020 2.657457 0.097405
H -2.998597 1.640060 1.419174
H 3.163950 -0.489514 2.081923
H 1.472560 -0.023954 2.353570
H 1.886514 -1.721188 2.000319
H 4.610018 -1.520864 0.673305
H 4.847351 -2.089147 -0.996181
H 4.633637 0.226472 -1.858631
H -4.300770 -1.840822 -0.496994
H -1.704824 -1.075851 2.296942
H -3.337944 -0.352793 2.232910
H -3.123507 -2.095658 1.939685
H -4.105237 1.964846 -1.442101
H -4.986492 2.159174 0.075964
H 6.757563 -0.408663 -0.905901


