%chk=000117396.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117396

0 1
 O   -5.551300      -2.757200     -0.6477000    
 O    7.991300      0.4789000      0.7491000    
 N   0.3106000      3.8999999E-03 -0.4331000    
 C   -1.935700      0.5877000     -0.7593000    
 C   -1.367900      0.1202000      -2.121900    
 C  -0.6357000       1.061300     -7.4199997E-02
 C   8.9599997E-02 -0.2699000      -1.853800    
 C   -2.888600       1.785600     -0.9216000    
 C   -2.690500     -0.5575000     -5.9099998E-02
 C    1.689800      0.3537000     -0.1329000    
 C   -3.357500       2.299900      0.4342000    
 C   -3.792200      -1.144200     -0.6787000    
 C   -2.269300      -1.004300       1.191800    
 C    2.634400     -0.7986000     -0.4764000    
 C   -4.278900       3.508300      0.2698000    
 C   -4.475400      -2.182000     -4.4500001E-02
 C   -2.952400      -2.041900       1.825800    
 C    4.066200     -0.4570000     -0.1487000    
 C   -4.728100       4.053700       1.616000    
 C   -4.055300      -2.630900       1.207600    
 C    4.858900      0.1483000      -1.111600    
 C    4.565700     -0.7542000       1.110200    
 C    6.183300      0.4641000     -0.8085000    
 C    5.890100     -0.4384000       1.413400    
 C    6.699000      0.1707000      0.4540000    
 H   -1.916000     -0.7127000      -2.573400    
 H   -1.380800      0.9440000      -2.847300    
 H  -0.3075000       2.021200     -0.4992000    
 H  -0.7078000       1.202200       1.007800    
 H   0.7418000      0.3213000      -2.508900    
 H   0.2493000      -1.331000      -2.072600    
 H   -3.756900       1.519000      -1.537000    
 H   -2.381300       2.598600      -1.458200    
 H    1.777800      0.5778000      0.9383000    
 H    1.992900       1.263400     -0.6688000    
 H   -3.904200       1.527400      0.9856000    
 H   -2.504100       2.598500       1.052600    
 H   -4.132400     -0.8066000      -1.654000    
 H   -1.422600     -0.5866000       1.722200    
 H    2.341500      -1.705400      7.0000000E-02
 H    2.579300      -1.063100      -1.539800    
 H   -3.760500       4.301400     -0.2817000    
 H   -5.161100       3.227400     -0.3174000    
 H   -2.626200      -2.391800       2.801000    
 H   -5.386900       4.916200       1.474700    
 H   -5.278200       3.295600       2.182800    
 H   -3.870600       4.376000       2.215200    
 H   -4.578800      -3.438500       1.712100    
 H    4.465800      0.3827000      -2.096800    
 H    3.943100      -1.226800       1.864500    
 H   -5.900700      -3.456300     -6.8700001E-02
 H    6.802800      0.9390000      -1.564600    
 H    6.286000     -0.6689000       2.398700    
 H    8.401900      0.8940000     -2.8800000E-02


%chk=000117396-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117396

0 1
O -6.044005 -2.211960 -0.361240
O 8.166845 0.762700 0.730154
N 0.359453 -0.017760 -0.439724
C -1.963592 0.585745 -0.720984
C -1.378645 0.169069 -2.119544
C -0.653448 0.960324 0.027968
C -0.008571 -0.490746 -1.808794
C -2.886484 1.831817 -0.859221
C -2.696824 -0.622998 -0.092828
C 1.763658 0.359932 -0.230999
C -3.435147 2.392201 0.472263
C -4.036315 -0.902933 -0.462355
C -2.050567 -1.508201 0.812878
C 2.717328 -0.866495 -0.269861
C -4.347004 3.623269 0.267204
C -4.712633 -2.022651 0.066202
C -2.735573 -2.624475 1.339334
C 4.165825 -0.470513 -0.032887
C -4.894898 4.192777 1.593430
C -4.073365 -2.895466 0.976902
C 5.005823 -0.085958 -1.107808
C 4.706490 -0.426234 1.280117
C 6.338625 0.328946 -0.889794
C 6.032972 -0.015192 1.519296
C 6.849367 0.364401 0.429531
H -2.059854 -0.502423 -2.668981
H -1.234119 1.081547 -2.729612
H -0.380228 2.012340 -0.238104
H -0.759321 0.912910 1.128170
H 0.755662 -0.185581 -2.558581
H -0.074935 -1.595760 -1.831290
H -3.737913 1.600676 -1.530417
H -2.306446 2.626093 -1.373665
H 1.852727 0.844984 0.760081
H 2.113873 1.110256 -0.988092
H -4.001347 1.602110 1.003403
H -2.591291 2.675194 1.134767
H -4.585611 -0.263688 -1.159998
H -0.999428 -1.339264 1.065638
H 2.372280 -1.585268 0.496647
H 2.612986 -1.366923 -1.251718
H -3.782554 4.412741 -0.271022
H -5.193882 3.342547 -0.392393
H -2.221621 -3.296452 2.036055
H -5.546065 5.069464 1.420613
H -5.487945 3.431709 2.134632
H -4.070503 4.510249 2.259869
H -4.601663 -3.765384 1.388904
H 4.617424 -0.118172 -2.133179
H 4.079553 -0.724840 2.129408
H -6.433488 -3.016848 0.061795
H 6.972716 0.617032 -1.738969
H 6.451594 0.013525 2.529742
H 8.655782 1.005825 -0.094742


