%chk=000178763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178763

0 1
 O    2.485000       1.392000     -0.5016000    
 O  -0.9430000     -0.4612000      0.6274000    
 O    1.736900       3.538100       1.503700    
 O    5.261300       1.412100     -0.8770000    
 O   -1.485700       1.343300      -2.195600    
 O   0.8454000      -4.554800     -0.3825000    
 N   -4.330400     -0.1049000      0.5268000    
 N    1.329600     -0.5777000      0.1463000    
 N  -8.8699996E-02  -2.521000      0.1278000    
 C    1.461300      0.8426000      0.3440000    
 C    1.856900       1.160000       1.777900    
 C    2.640800       2.441400       1.618500    
 C   -2.180700     -0.9369000      0.1340000    
 C    3.341100       2.246200      0.2819000    
 C   -2.895600      -1.801600       1.203000    
 C   -3.118200      0.1932000     -2.2200000E-02
 C   -4.386200      -1.427900       1.117900    
 C   -3.195300       1.456900     -0.5458000    
 C    4.693700       1.559000      0.4144000    
 C   0.1116000      -1.247100      0.2884000    
 C   -5.202700      0.9147000      0.4003000    
 C   -4.521900       1.916800     -0.2739000    
 C    2.405400      -1.383900     -0.2008000    
 C   -2.131700       2.195900      -1.249000    
 C    2.320100      -2.706900     -0.3925000    
 C   0.9699000      -3.343800     -0.2178000    
 C    3.476500      -3.575100     -0.7656000    
 C  -0.4556000       2.030500      -2.888000    
 H   0.5420000       1.373600      7.9999998E-02
 H   0.9782000       1.253300       2.424000    
 H    2.504100      0.3793000       2.195600    
 H    3.323800       2.649800       2.446800    
 H   -2.096600      -1.458900     -0.8290000    
 H    3.448800       3.184500     -0.2738000    
 H   -2.738400      -2.873400       1.044600    
 H   -2.511000      -1.568100       2.204900    
 H   -4.869900      -1.373700       2.095700    
 H   -4.939800      -2.075200      0.4319000    
 H    5.377500       2.164800       1.017000    
 H    4.623400      0.5679000      0.8705000    
 H   -6.214000      0.8665000      0.7794000    
 H   -4.939400       2.877900     -0.5422000    
 H    3.351600     -0.8733000     -0.3121000    
 H   -1.399500       2.565100     -0.5218000    
 H   -2.555600       3.058200      -1.777500    
 H    1.253700       3.605600       2.345000    
 H    4.639400      0.8921000      -1.413800    
 H    3.289500      -4.070700      -1.723700    
 H    4.403000      -2.999500     -0.8637000    
 H    3.640700      -4.342600     -2.4000001E-03
 H   0.2915000       2.420000      -2.190600    
 H   3.4400001E-02   1.325400      -3.564700    
 H  -0.8750000       2.848400      -3.481800    


%chk=000178763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178763

0 1
O 2.660525 1.361579 0.041421
O -0.844955 -0.357099 0.232618
O 1.770274 3.298163 2.422184
O 5.336602 1.921926 -0.526459
O -2.369105 0.952414 -3.034971
O 0.965151 -4.469784 -1.181950
N -3.966566 0.307559 0.834548
N 1.447309 -0.682652 0.342347
N 0.020481 -2.431623 -0.495263
C 1.596568 0.696928 0.833037
C 2.069317 0.818657 2.299906
C 2.750237 2.204431 2.327040
C -2.218752 -0.791957 -0.311523
C 3.385023 2.330981 0.924525
C -2.899493 -1.790838 0.668111
C -3.101700 0.401766 -0.261401
C -3.770623 -0.921929 1.628782
C -3.389232 1.592924 -0.946609
C 4.874805 1.966607 0.858261
C 0.200669 -1.221982 -0.010175
C -4.800333 1.410676 0.877651
C -4.462142 2.225379 -0.223663
C 2.571680 -1.510307 0.174825
C -2.690329 2.103139 -2.173028
C 2.469354 -2.787316 -0.320079
C 1.127075 -3.308388 -0.702788
C 3.661407 -3.687874 -0.520146
C -1.600137 1.352412 -4.211877
H 0.635816 1.208517 0.669599
H 1.229982 0.739082 3.010711
H 2.802014 0.023686 2.531464
H 3.504751 2.283937 3.135962
H -2.028013 -1.208273 -1.309411
H 3.206457 3.343338 0.522929
H -3.545397 -2.461275 0.074568
H -2.162543 -2.418303 1.190704
H -3.243277 -0.691545 2.573498
H -4.735800 -1.399111 1.870938
H 5.483783 2.742187 1.353835
H 5.051935 0.991975 1.368157
H -5.565627 1.538199 1.639939
H -4.947681 3.165454 -0.484845
H 3.529331 -1.049795 0.428473
H -1.744355 2.630900 -1.909336
H -3.337716 2.824651 -2.719203
H 1.296351 3.244086 3.290427
H 4.665814 1.404147 -1.045416
H 3.737688 -3.991333 -1.580015
H 4.604278 -3.199974 -0.217230
H 3.537738 -4.623521 0.054996
H -0.636725 1.828598 -3.928112
H -1.398212 0.429206 -4.777102
H -2.171504 2.058274 -4.852554


