%chk=000068721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068721

0 1
 O    1.005300       1.579900      0.5135000    
 O   -3.663000      -3.332900     -0.9054000    
 O   -3.865900     -0.6689000     -5.7300001E-02
 N  -0.3955000      -3.035700      0.8259000    
 C    2.304000     -0.7461000     -0.5536000    
 C    1.512700      -1.561200      0.4811000    
 C   0.3482000      -2.283800     -0.1777000    
 C    3.493000     -5.7000000E-02  0.1058000    
 C    1.385500      0.1465000      -1.364100    
 C    3.472300       1.238300      0.6627000    
 C   -1.575300      -3.664800      0.2293000    
 C   0.7485000       1.251600     -0.7906000    
 C    2.295000       2.188700      0.6094000    
 C    4.685200     -0.8103000      0.1997000    
 C   -2.527900      -2.635800     -0.3839000    
 C    1.102300     -0.1548000      -2.704300    
 C   0.4587000      -4.048000       1.449500    
 C    4.647700       1.743600       1.258600    
 C  -0.1734000       2.018600      -1.504600    
 C    5.831600     -0.2971000      0.8044000    
 C   0.1992000      0.6220000      -3.435000    
 C   -3.016600      -1.591700      0.6176000    
 C    5.813400      0.9841000       1.333100    
 C  -0.4420000       1.703900      -2.833700    
 C   -3.902600      0.6078000      0.4362000    
 C   -4.149100       1.672300     -0.4242000    
 C   -3.693600      0.8283000       1.793500    
 C   -4.187200       2.972700      7.8800000E-02
 C   -3.731900       2.128900       2.296300    
 C   -3.978600       3.201000       1.438900    
 H    2.730100      -1.466300      -1.268800    
 H    1.145300     -0.9186000       1.292300    
 H    2.216200      -2.265900      0.9388000    
 H   0.7033000      -2.935100     -0.9869000    
 H  -0.3013000      -1.527400     -0.6154000    
 H   -1.290500      -4.401600     -0.5346000    
 H   -2.126700      -4.227900      0.9946000    
 H    2.269000       2.761500       1.544700    
 H    2.448300       2.920000     -0.1972000    
 H    4.725000      -1.820500     -0.2038000    
 H   -2.097000      -2.135700      -1.256800    
 H    1.571500      -1.007200      -3.189500    
 H   0.9808000      -4.669000      0.7125000    
 H    1.188800      -3.604200       2.132900    
 H  -0.1399000      -4.716900       2.080300    
 H    4.657900       2.750400       1.672300    
 H  -0.6718000       2.862100      -1.035900    
 H    6.733700     -0.8988000      0.8595000    
 H   -3.599400      -2.076700       1.409900    
 H   -2.148100      -1.083300       1.052000    
 H  -1.2300000E-02  0.3743000      -4.471300    
 H    6.702600       1.395400       1.801200    
 H   -1.151200       2.299300      -3.401000    
 H   -3.339600      -3.966800      -1.568300    
 H   -4.310600       1.499100      -1.484300    
 H   -3.528300      2.0500001E-02   2.499600    
 H   -4.378600       3.807700     -0.5889000    
 H   -3.576200       2.306700       3.356300    
 H   -4.009500       4.213600       1.830600    


%chk=000068721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068721

0 1
O 1.198659 1.376241 0.996757
O -3.735999 -3.464726 -0.719263
O -3.431422 -0.511647 -0.496775
N -0.317651 -3.052668 0.882150
C 2.402030 -0.718210 -0.632137
C 1.734008 -1.657034 0.437631
C 0.605915 -2.527744 -0.156253
C 3.686533 -0.111170 -0.050507
C 1.381188 0.270569 -1.189774
C 3.734662 1.041876 0.784505
C -1.527610 -3.691102 0.315439
C 0.761485 1.231392 -0.349923
C 2.550112 1.951267 1.116325
C 4.901198 -0.800853 -0.314982
C -2.489605 -2.726397 -0.427889
C 0.919677 0.175008 -2.525488
C 0.353493 -3.936022 1.860290
C 4.981718 1.450732 1.328840
C -0.316045 2.023871 -0.790955
C 6.135772 -0.382907 0.221022
C -0.142321 0.982343 -2.996169
C -2.869823 -1.519677 0.419377
C 6.176674 0.756152 1.056092
C -0.775347 1.893536 -2.120885
C -3.801000 0.727075 0.039200
C -4.384960 1.635957 -0.880765
C -3.620073 1.104237 1.394275
C -4.776499 2.917661 -0.447993
C -4.018321 2.395766 1.812592
C -4.594094 3.309323 0.902537
H 2.715635 -1.366461 -1.475857
H 1.317820 -1.032925 1.248046
H 2.530203 -2.288880 0.874446
H 1.051381 -3.361350 -0.764360
H 0.014248 -1.903885 -0.849257
H -1.275222 -4.529402 -0.388783
H -2.102348 -4.139357 1.147825
H 2.616260 2.268670 2.171271
H 2.598012 2.861404 0.480364
H 4.868603 -1.687346 -0.961040
H -2.040305 -2.355904 -1.371689
H 1.390118 -0.553129 -3.198499
H 0.797614 -4.852014 1.393304
H 1.160999 -3.389460 2.374748
H -0.375513 -4.259252 2.624218
H 5.012118 2.335103 1.979265
H -0.786925 2.719389 -0.089011
H 7.052499 -0.937134 -0.008422
H -3.628678 -1.813181 1.172081
H -1.966221 -1.130461 0.926418
H -0.484847 0.886162 -4.032187
H 7.123568 1.096352 1.489406
H -1.622361 2.497334 -2.462904
H -3.594657 -4.048771 -1.505734
H -4.523028 1.312395 -1.917321
H -3.173487 0.416364 2.117879
H -5.230376 3.612290 -1.164311
H -3.874679 2.683529 2.860547
H -4.901286 4.305871 1.236981


