%chk=000025599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025599

0 1
 O   -1.582400      -1.095000       1.468900    
 O    3.503700      0.7339000      -1.900200    
 N   -2.873000      -1.936500     -0.2667000    
 N    1.890100      -1.307100     -0.9591000    
 N    3.089200     -0.9516000     -0.3603000    
 N    7.491100      0.9692000       1.049600    
 C   -4.129600      -1.914400      0.4430000    
 C  -0.5141000      -1.641100     -0.6348000    
 C   -4.852500     -0.6105000      0.2651000    
 C   0.7965000      -1.183400     -3.4000000E-03
 C   -1.688100      -1.516700      0.3203000    
 C   -4.625100      0.4288000       1.159000    
 C   -5.741900     -0.4566000     -0.7916000    
 C   -6.191400       1.802900     -6.4199999E-02
 C   -5.297100       1.640100      0.9939000    
 C   -6.413800      0.7546000     -0.9569000    
 C   -6.909000       3.098000     -0.2411000    
 C    3.824800      8.4799998E-02 -0.9077000    
 C    5.107200      0.3939000     -0.2232000    
 C    6.128600      0.9610000     -0.9475000    
 C    5.234400      0.1042000       1.114400    
 C    7.303200       1.230100     -0.2636000    
 C    6.449100      0.4116000       1.706100    
 H   -3.955400      -2.113300       1.507300    
 H   -4.735600      -2.744900      6.2899999E-02
 H  -0.4392000      -2.690300     -0.9467000    
 H  -0.7352000      -1.039600      -1.525400    
 H   0.9995000      -1.785600      0.8917000    
 H   0.7008000     -0.1394000      0.3212000    
 H   -2.870700      -2.254600      -1.231500    
 H   -3.935100      0.3141000       1.989900    
 H   -5.921500      -1.266000      -1.493900    
 H   -5.117300       2.448600       1.697600    
 H   -7.109100      0.8688000      -1.784300    
 H    1.982200      -2.279400      -1.252100    
 H    3.410400      -1.526000      0.4121000    
 H   -7.854500       3.081900      0.3101000    
 H   -7.122200       3.290700      -1.298000    
 H   -6.305500       3.936900      0.1217000    
 H    6.046800       1.191400      -2.003300    
 H    4.444700     -0.3135000       1.726400    
 H    8.152100       1.675900     -0.7715000    
 H    6.618600      0.2178000       2.760200    


%chk=000025599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025599

0 1
O -1.692433 -2.799375 1.213887
O 3.544952 0.164769 -2.111135
N -2.828156 -1.936018 -0.629107
N 2.010479 -1.849017 -0.800758
N 3.128595 -1.201261 -0.242535
N 7.061698 1.776132 1.229274
C -4.153816 -1.925134 0.020184
C -0.401887 -2.334322 -0.822541
C -4.792304 -0.541326 0.036752
C 0.760731 -1.715238 -0.018441
C -1.685040 -2.377074 0.014789
C -4.114601 0.561190 0.619525
C -6.078303 -0.327578 -0.511740
C -6.004607 2.057875 0.103313
C -4.711097 1.837133 0.650628
C -6.675983 0.954191 -0.477346
C -6.642125 3.435953 0.150038
C 3.801312 -0.185060 -0.926845
C 4.916855 0.463881 -0.130911
C 5.991619 1.043601 -0.848802
C 4.927267 0.573642 1.283395
C 7.032606 1.675272 -0.135578
C 6.009768 1.233268 1.910309
H -3.977833 -2.300069 1.045854
H -4.825139 -2.643793 -0.488739
H -0.145864 -3.381691 -1.084586
H -0.532966 -1.780401 -1.769223
H 0.800601 -2.206025 0.980397
H 0.579386 -0.637338 0.140086
H -2.753237 -1.562413 -1.577107
H -3.118272 0.411396 1.052713
H -6.619585 -1.166088 -0.968424
H -4.171948 2.676299 1.107903
H -7.674112 1.097789 -0.908428
H 2.227550 -2.811437 -1.094133
H 3.468161 -1.483548 0.687028
H -6.831538 3.754208 1.192834
H -7.606565 3.454329 -0.385956
H -5.985847 4.199470 -0.307590
H 5.990305 1.002313 -1.941984
H 4.102741 0.198199 1.899847
H 7.881005 2.125116 -0.662788
H 6.041326 1.341879 3.000346


