%chk=000095358.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095358

0 1
 O  -7.7999998E-03  -1.858900     -0.8862000    
 O    8.373600     -0.1849000      0.5902000    
 O   -8.368800     -0.1815000      0.5942000    
 O    7.185500      -2.019500      0.3868000    
 O   -7.183900      -2.017800      0.3874000    
 N    7.278700     -0.7683000      0.4019000    
 N   -7.275100     -0.7665000      0.4036000    
 C    3.732500      0.1522000     -0.2102000    
 C   -3.745300      0.1576000     -0.2102000    
 C    4.880700     -0.6145000     -1.1700000E-02
 C   -4.877600     -0.6161000     -1.3300000E-02
 C    6.109300      1.1400000E-02  0.2000000    
 C   -6.105000      1.1500000E-02  0.1999000    
 C    3.812800       1.544800     -0.1970000    
 C   -3.806700       1.541700     -0.1995000    
 C    2.451200     -0.4995000     -0.4317000    
 C   -2.448000     -0.5045000     -0.4348000    
 C    6.189400       1.404000      0.2132000    
 C   -6.183000       1.404200      0.2135000    
 C    5.041100       2.170600      1.4800000E-02
 C   -5.033900       2.169300      1.3700000E-02
 C    1.241400      7.8500003E-02 -0.2583000    
 C   -1.254200      8.0300003E-02 -0.2583000    
 C  -7.0000002E-03 -0.6940000     -0.5082000    
 H    4.799800      -1.699700     -2.3600001E-02
 H   -4.794900      -1.700500     -2.5699999E-02
 H    2.950500       2.182700     -0.3673000    
 H   -2.944000       2.177100     -0.3725000    
 H    2.504800      -1.537600     -0.7525000    
 H   -2.506000      -1.541800     -0.7566000    
 H    7.129200       1.926000      0.3739000    
 H   -7.121900       1.927600      0.3754000    
 H    5.104600       3.254900      2.0400001E-02
 H   -5.095900       3.253700      1.8999999E-02
 H    1.130900       1.100900      8.4399998E-02
 H   -1.143100       1.101400      8.6499996E-02


%chk=000095358-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095358

0 1
O 0.000285 -1.834784 -0.056315
O 8.595704 -0.406513 -0.032159
O -8.595097 -0.404795 -0.052890
O 7.216707 -2.222830 -0.042278
O -7.216505 -2.221196 -0.082298
N 7.425668 -0.950169 -0.037213
N -7.425180 -0.948619 -0.063899
C 3.811665 0.224483 -0.041491
C -3.810959 0.224885 -0.033789
C 4.954705 -0.620243 -0.041569
C -4.954110 -0.619458 -0.051246
C 6.240759 -0.048488 -0.037407
C -6.240049 -0.047402 -0.045065
C 4.015145 1.637500 -0.037797
C -4.014048 1.637704 -0.009049
C 2.482185 -0.399941 -0.045497
C -2.481521 -0.399779 -0.041494
C 6.448384 1.346893 -0.033565
C -6.447340 1.347821 -0.021280
C 5.312255 2.186360 -0.033927
C -5.311056 2.186863 -0.003099
C 1.265605 0.227636 -0.040023
C -1.264922 0.227698 -0.036741
C 0.000341 -0.558205 -0.045107
H 4.852927 -1.709942 -0.044575
H -4.852583 -1.709020 -0.069669
H 3.151387 2.310373 -0.038374
H -3.150163 2.310208 0.006677
H 2.451274 -1.499861 -0.053264
H -2.450893 -1.499661 -0.052685
H 7.466887 1.743291 -0.030621
H -7.465756 1.744436 -0.017251
H 5.444704 3.272814 -0.031377
H -5.443308 3.273176 0.016106
H 1.176851 1.321762 -0.031309
H -1.176049 1.321800 -0.027261


