%chk=000003152.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003152

0 1
 O    2.281500      -2.128800       1.954300    
 O    6.345300       1.819100      -1.069300    
 O    7.063600     -0.1212000      0.7814000    
 N   -3.985200     -0.7888000     -0.9485000    
 C   -1.065300     -0.9860000     -0.7739000    
 C   0.1794000      -1.613400     -0.1526000    
 C    1.045300     -0.5699000      0.5272000    
 C   -1.920300      -2.042600      -1.481600    
 C   -1.905800     -0.2646000      0.2852000    
 C   -3.218600      -1.438200      -2.020300    
 C   -3.204900      0.2806000     -0.3116000    
 C    1.607500      0.4743000     -0.4648000    
 C    2.270000      -1.202400       1.164000    
 C    3.084300      0.4442000     -0.2292000    
 C    3.465900     -0.5208000      0.6944000    
 C   -5.246700     -0.2616000      -1.468500    
 C    4.047500       1.238200     -0.8305000    
 C    4.782400     -0.7390000       1.056100    
 C   -6.095500      0.3384000     -0.3793000    
 C    5.388500       1.042900     -0.4833000    
 C    5.752900      6.0899999E-02  0.4531000    
 C   -7.004800     -0.4623000      0.2979000    
 C   -5.957000       1.683800     -6.7699999E-02
 C   -7.791200      9.3699999E-02   1.306900    
 C   -6.743300       2.239700      0.9415000    
 C   -7.660300       1.444700       1.628800    
 C    6.682500       3.037000     -0.4101000    
 C    7.802200      -1.057800      3.9999999E-04
 H  -0.7692000     -0.2505000      -1.532500    
 H  -0.1127000      -2.380800      0.5764000    
 H   0.7573000      -2.138200     -0.9249000    
 H   0.5239000     -6.3000001E-02   1.346800    
 H   -1.355800      -2.486700      -2.310200    
 H   -2.160400      -2.858500     -0.7872000    
 H   -2.139000     -0.9471000       1.112900    
 H   -1.363900      0.5869000      0.7090000    
 H   -2.987700     -0.7261000      -2.823600    
 H   -3.811700      -2.247500      -2.463300    
 H   -2.976700       1.085800      -1.022200    
 H   -3.730300      0.7160000      0.5420000    
 H    1.408100      0.2187000      -1.510500    
 H    1.196900       1.467200     -0.2534000    
 H   -5.074400      0.4867000      -2.255000    
 H   -5.818600      -1.067500      -1.948200    
 H    3.766900       1.993900      -1.557600    
 H    5.052200      -1.499700       1.780400    
 H   -7.113500      -1.516000      5.6899998E-02
 H   -5.258900       2.320200     -0.6046000    
 H   -8.505200     -0.5252000       1.842300    
 H   -6.644100       3.292400       1.189600    
 H   -8.273200       1.877700       2.414100    
 H    7.461300       3.537500     -0.9919000    
 H    5.810600       3.696200     -0.3526000    
 H    7.069900       2.838000      0.5942000    
 H    8.828300      -1.084200      0.3771000    
 H    7.369700      -2.059100      9.2200004E-02
 H    7.823200     -0.7523000      -1.050500    


%chk=000003152-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003152

0 1
O 2.096359 -1.868528 2.042632
O 6.788822 1.574342 -1.120082
O 7.258381 -0.359865 1.009336
N -4.132284 -0.484990 -0.990755
C -1.180423 -0.673623 -0.786085
C 0.094550 -1.308044 -0.178590
C 1.129539 -0.291754 0.360718
C -2.047143 -1.753255 -1.482706
C -2.048413 0.062243 0.265962
C -3.349497 -1.159676 -2.053269
C -3.351728 0.603309 -0.353279
C 1.849173 0.570417 -0.722352
C 2.265412 -0.988124 1.154527
C 3.331413 0.482777 -0.377537
C 3.556686 -0.429377 0.684621
C -5.458984 -0.029451 -1.466425
C 4.419914 1.153512 -0.965813
C 4.859700 -0.720483 1.148398
C -6.428492 0.295909 -0.332685
C 5.727191 0.897665 -0.490467
C 5.951097 -0.070762 0.547465
C -6.449199 -0.491227 0.846476
C -7.359068 1.355957 -0.463218
C -7.385289 -0.226929 1.870163
C -8.301102 1.620444 0.557849
C -8.317896 0.828341 1.728786
C 7.659467 2.386427 -0.232920
C 8.103746 -1.075320 0.023633
H -0.879007 0.067517 -1.560519
H -0.188981 -1.984953 0.651965
H 0.587612 -1.939655 -0.946958
H 0.618292 0.374202 1.086542
H -1.473962 -2.234255 -2.300033
H -2.305539 -2.541009 -0.747655
H -2.303212 -0.641811 1.082551
H -1.493152 0.907773 0.717133
H -3.093740 -0.448117 -2.884365
H -3.972667 -1.963282 -2.489780
H -3.101485 1.402964 -1.102060
H -3.978343 1.070457 0.427325
H 1.664651 0.156432 -1.733629
H 1.491045 1.616009 -0.740794
H -5.381628 0.858030 -2.147196
H -5.884277 -0.853035 -2.075915
H 4.295897 1.882124 -1.773501
H 5.027656 -1.445574 1.950708
H -5.714446 -1.298052 0.946092
H -7.345953 1.978430 -1.367349
H -7.389596 -0.842401 2.777373
H -9.014796 2.444392 0.442435
H -9.044886 1.033313 2.522927
H 8.468099 2.754986 -0.881562
H 7.083111 3.238776 0.172652
H 8.063544 1.776687 0.593312
H 9.083243 -1.196686 0.510289
H 7.668287 -2.067453 -0.199443
H 8.205202 -0.490846 -0.909229


