%chk=000096850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096850

0 1
 O    2.131100     -4.9199998E-02   1.033800    
 O   0.9993000      -2.449400      -1.390900    
 O    3.137100      -2.817900      0.2459000    
 O    4.226700       1.786300      0.7155000    
 O    1.085700       2.161400     -0.1402000    
 O   -4.195500       1.901500     -0.3200000    
 N  -7.0600003E-02  0.1121000      0.1641000    
 N   -1.953700      -1.416800      0.3481000    
 N   -1.250200       1.986700     -0.2096000    
 N   -4.102900     -0.3798000      7.8100003E-02
 N   -3.877100      -2.690400      0.4874000    
 C    1.077400     -0.7690000      0.3652000    
 C    1.682000      -1.303600     -0.9242000    
 C    3.105200      -1.595800     -0.4914000    
 C    3.399800     -0.4399000      0.4594000    
 C    4.000600      0.7689000     -0.2442000    
 C   -1.382600     -0.2234000      0.1660000    
 C  -4.1000001E-02   1.470100     -6.8499997E-02
 C   -2.091400      0.9200000     -6.1400000E-02
 C   -3.539200      0.8872000     -0.1170000    
 C   -3.345900      -1.440300      0.2934000    
 C    1.005200       3.581600     -0.3895000    
 H   0.7490000      -1.572200       1.035700    
 H    1.672200     -0.5434000      -1.713800    
 H    3.803000      -1.690900      -1.328100    
 H    4.041600     -0.7413000       1.295000    
 H    3.344200       1.172000      -1.020400    
 H    4.960700      0.5138000     -0.7030000    
 H    1.055700      -3.134200     -0.7029000    
 H    4.052200      -2.950700      0.5472000    
 H   -1.430400      -2.270400      0.5131000    
 H    3.368400       2.006000       1.116700    
 H   0.4538000       4.074700      0.4170000    
 H   0.5277000       3.767500      -1.356500    
 H    2.024600       3.975600     -0.4153000    
 H   -3.285100      -3.497200      0.6524000    
 H   -4.879600      -2.842800      0.4717000    


%chk=000096850-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096850

0 1
O 2.453688 0.039704 1.060552
O 0.723454 -2.947695 0.015432
O 3.209946 -2.899650 0.707573
O 3.733986 1.873253 -0.631967
O 1.214010 2.533746 0.471988
O -4.198237 1.901837 -0.557889
N 0.137762 0.351702 0.377102
N -1.667009 -1.361030 0.088817
N -1.142477 2.227250 0.033368
N -3.854904 -0.422177 -0.380458
N -3.559279 -2.741567 -0.247148
C 1.186667 -0.608827 0.809669
C 1.422418 -1.706666 -0.290293
C 2.965422 -1.868139 -0.311981
C 3.466414 -0.466742 0.081130
C 3.564096 0.516973 -1.111130
C -1.180832 -0.061844 0.134094
C 0.076296 1.768216 0.305318
C -1.962086 1.077562 -0.072508
C -3.403708 0.943943 -0.354354
C -3.049939 -1.455808 -0.184888
C 0.957057 4.000048 0.406726
H 0.849403 -1.083429 1.752519
H 1.046883 -1.359402 -1.265780
H 3.345651 -2.196322 -1.298735
H 4.420892 -0.474643 0.634918
H 2.668404 0.425052 -1.767730
H 4.459385 0.285096 -1.715457
H 1.347129 -3.489461 0.577412
H 4.173842 -3.071815 0.829703
H -1.037519 -2.179575 0.151244
H 2.919805 2.106371 -0.093531
H 0.243861 4.283986 1.196612
H 0.536862 4.263309 -0.577296
H 1.943488 4.458646 0.564860
H -3.000477 -3.573462 -0.079130
H -4.552355 -2.821639 -0.449963


