%chk=000151299.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151299

0 1
 O   0.7810000       2.900400       1.213100    
 O    1.271400       3.179400     -0.9887000    
 O   -3.982900      -1.197800       1.227700    
 N   9.2100002E-02  -1.697600     -0.3967000    
 N   -2.180300      -1.138700     -0.8408000    
 N   -3.177200     -0.2261000     -0.7239000    
 C    1.702400      4.9899999E-02  4.1000000E-03
 C    1.352400      -1.310700     -0.1226000    
 C   0.6944000       1.008900     -0.1641000    
 C  -0.8513000     -0.7406000     -0.5517000    
 C  -0.6051000      0.6134000     -0.4466000    
 C    3.027900      0.4179000      0.2910000    
 C    2.354000      -2.262900      4.4700000E-02
 C    4.009700     -0.5553000      0.4532000    
 C    3.671900      -1.897300      0.3298000    
 C   0.9463000       2.442700     -5.6000002E-02
 C   -4.034600     -0.3380000      0.3510000    
 C   -5.072000      0.7523000      0.3766000    
 H   -1.367300       1.373700     -0.5817000    
 H    3.321600       1.459700      0.3930000    
 H    2.115200      -3.321000     -4.6900000E-02
 H    5.032800     -0.2675000      0.6748000    
 H    4.431600      -2.663400      0.4549000    
 H   -2.411600      -2.121000     -0.9033000    
 H   -3.264300      0.4556000      -1.470000    
 H   -5.330500       1.075100     -0.6360000    
 H   -4.681500       1.605200      0.9381000    
 H   -5.978500      0.3802000      0.8621000    
 H   0.9520000       3.864100       1.279100    


%chk=000151299-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151299

0 1
O 2.040104 3.046812 0.576680
O -0.155834 3.402204 -0.022481
O -3.630437 -0.820497 1.398475
N 0.069747 -1.660923 -0.450548
N -2.144695 -1.178204 -0.964393
N -3.279069 -0.372194 -0.861803
C 1.728651 0.123657 0.121272
C 1.352334 -1.265461 -0.114417
C 0.667206 1.103640 -0.020594
C -0.877512 -0.711995 -0.570509
C -0.622061 0.680180 -0.366830
C 3.091651 0.402552 0.466184
C 2.337369 -2.297810 0.004117
C 4.030542 -0.628456 0.572964
C 3.655039 -1.987648 0.341885
C 0.782888 2.587741 0.163957
C -3.990096 -0.233827 0.343912
C -5.210180 0.674298 0.248693
H -1.418680 1.420543 -0.467616
H 3.388082 1.435520 0.648846
H 2.009684 -3.325309 -0.178844
H 5.066292 -0.390214 0.838744
H 4.402646 -2.783411 0.431508
H -2.279551 -2.190845 -0.878132
H -3.616636 0.063884 -1.722946
H -5.394242 1.064229 -0.767343
H -5.073732 1.526987 0.935851
H -6.100743 0.117899 0.586397
H 1.990834 4.037251 0.671170


