%chk=000049203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049203

0 1
 O  -0.8201000     -0.3899000       2.045100    
 O   0.6962000      0.1030000      -2.371800    
 O    2.102500      -3.417000      0.2145000    
 N   0.7162000      -1.845900       1.160800    
 N    1.474200      -1.599400      -1.045400    
 C   0.3230000      0.2888000      1.7100001E-02
 C    1.466300       1.193500      0.5107000    
 C  -0.9039000       1.153200     -0.3077000    
 C    1.884500       2.156900     -0.6114000    
 C  -1.4200000E-02 -0.6669000       1.157200    
 C   0.8137000     -0.3978000      -1.253600    
 C    1.029100       1.924300       1.778900    
 C   -2.020900      0.3093000     -0.8318000    
 C    3.055800       3.052400     -0.2339000    
 C    1.488100      -2.352900      0.1222000    
 C   -3.266000      0.1919000     -0.3324000    
 C   -4.349400     -0.6766000     -0.9062000    
 C   -3.675200      0.9731000      0.8878000    
 H    2.339300      0.5779000      0.7698000    
 H   -1.227400       1.756000      0.5386000    
 H  -0.6992000       1.868900      -1.111300    
 H    1.070900       2.821700     -0.9137000    
 H    2.222500       1.617000      -1.498800    
 H   0.2529000       2.674500       1.606900    
 H    1.883700       2.477500       2.187600    
 H   0.7252000       1.267300       2.595100    
 H   -1.811100     -0.2617000      -1.734600    
 H    3.387400       3.625800      -1.106100    
 H    3.905300       2.461700      0.1235000    
 H    2.779900       3.772100      0.5426000    
 H   0.6144000      -2.440500       1.978600    
 H    1.931000      -2.012300      -1.853700    
 H   -4.659700      -1.432900     -0.1782000    
 H   -5.220200     -7.0799999E-02  -1.176800    
 H   -4.012400      -1.199000      -1.807600    
 H   -2.858700       1.247900       1.556200    
 H   -4.360000      0.3742000       1.500000    
 H   -4.206300       1.882500      0.5886000    


%chk=000049203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049203

0 1
O -0.869335 -0.230150 2.147989
O 0.745994 0.008290 -2.355925
O 2.047058 -3.428993 0.477676
N 0.676360 -1.735281 1.331082
N 1.460052 -1.623682 -0.889706
C 0.269538 0.377490 0.042091
C 1.494498 1.329155 0.510795
C -0.996386 1.198540 -0.357312
C 1.842077 2.406704 -0.559039
C -0.059525 -0.533695 1.236272
C 0.800060 -0.408264 -1.169582
C 1.235796 1.990842 1.885872
C -2.118993 0.347257 -0.921975
C 3.300397 2.903710 -0.435822
C 1.448317 -2.335866 0.322615
C -3.360251 0.145332 -0.391260
C -4.383102 -0.703483 -1.131265
C -3.850958 0.725948 0.922925
H 2.377152 0.661164 0.612873
H -1.330886 1.759887 0.529422
H -0.685288 1.927576 -1.126710
H 1.150122 3.263751 -0.444743
H 1.688523 2.007635 -1.577921
H 0.302286 2.580494 1.881204
H 2.067553 2.679990 2.116688
H 1.167119 1.261070 2.709460
H -1.895950 -0.115902 -1.894639
H 3.507174 3.690056 -1.184070
H 4.016672 2.078812 -0.610082
H 3.512826 3.330205 0.561667
H 0.555223 -2.287255 2.186514
H 1.927498 -2.089574 -1.674336
H -4.688391 -1.576717 -0.520982
H -5.305522 -0.123198 -1.333489
H -3.993518 -1.074436 -2.095029
H -3.047548 1.182749 1.520105
H -4.310901 -0.067640 1.543068
H -4.638341 1.485280 0.742366


