%chk=000155891.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155891

0 1
 O   -6.019900      0.1065000       1.277300    
 O   -6.475200      -1.184100     -0.5375000    
 N  -3.9099999E-02 -0.7688000     -0.5050000    
 C   0.8701000     -9.9799998E-02  0.3733000    
 C    2.257000     -0.6848000      0.2589000    
 C    1.019000       1.389300      0.1160000    
 C   -1.438300     -0.7329000     -0.3313000    
 C    2.833900      -1.287900       1.365300    
 C    2.928300     -0.6083000     -0.9513000    
 C    1.317100       2.225900       1.174300    
 C   0.8531000       1.867700      -1.169500    
 C    4.803300      -1.758700      4.7899999E-02
 C    4.115400      -1.828200       1.259200    
 C    4.209900      -1.148800      -1.057400    
 C   -2.269700      -1.406600      -1.226200    
 C   -1.990800     -2.3800001E-02  0.7353000    
 C    1.454100       3.593800      0.9381000    
 C   0.9903000       3.235500      -1.405700    
 C    1.290900       4.098600     -0.3518000    
 C    6.173200      -2.337300     -6.5800004E-02
 C   -3.653500      -1.371100      -1.054500    
 C   -3.374600      1.1600000E-02  0.9070000    
 C   -4.205900     -0.6620000      1.1900000E-02
 C   -5.648600     -0.6256000      0.1913000    
 H   0.5491000     -0.2516000       1.412000    
 H   0.3070000      -1.247400      -1.329900    
 H    2.310700      -1.350300       2.315200    
 H    2.489400     -0.1690000      -1.840000    
 H    1.446100       1.842900       2.182200    
 H   0.6124000       1.223900      -2.009600    
 H    4.566500      -2.302500       2.126800    
 H    4.732900      -1.096100      -2.008700    
 H   -1.851500      -1.962700      -2.061400    
 H   -1.396500      0.5238000       1.458300    
 H    1.688000       4.265800       1.758600    
 H   0.8616000       3.629200      -2.409700    
 H    1.397300       5.163600     -0.5357000    
 H   -4.283800      -1.902500      -1.762600    
 H   -3.763400      0.5766000       1.749700    
 H    6.706000      -2.282300      0.8896000    
 H    6.113700      -3.385700     -0.3745000    
 H    6.774100      -1.789000     -0.7992000    
 H   -6.994300      0.1243000       1.389700    


%chk=000155891-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155891

0 1
O -6.193242 0.098120 1.118014
O -6.441949 -1.613645 -0.432573
N 0.009036 -0.686020 -0.420004
C 0.961988 0.080246 0.408970
C 2.339646 -0.592594 0.295932
C 1.003000 1.582978 0.078503
C -1.371726 -0.688034 -0.250607
C 2.653509 -1.688206 1.139209
C 3.295694 -0.183088 -0.664892
C 1.609980 2.470831 1.002669
C 0.471702 2.102784 -1.124306
C 4.852279 -1.953943 0.060648
C 3.891849 -2.354892 1.026126
C 4.532030 -0.856178 -0.778601
C -2.168695 -1.612337 -0.999545
C -2.026846 0.207050 0.651756
C 1.690908 3.852394 0.726601
C 0.550652 3.486913 -1.404022
C 1.161324 4.366089 -0.481487
C 6.174045 -2.688847 -0.079716
C -3.558539 -1.643182 -0.845160
C -3.421595 0.163650 0.801806
C -4.209028 -0.757659 0.060654
C -5.674622 -0.831051 0.188648
H 0.640240 -0.015515 1.469738
H 0.415661 -1.384678 -1.043264
H 1.924751 -2.016356 1.891271
H 3.080431 0.675934 -1.310189
H 2.028215 2.075851 1.937539
H -0.014770 1.422376 -1.831340
H 4.119327 -3.193382 1.695605
H 5.262653 -0.519980 -1.524475
H -1.678323 -2.304122 -1.695883
H -1.446495 0.945848 1.211319
H 2.162260 4.527347 1.449907
H 0.129764 3.877633 -2.337373
H 1.219230 5.438949 -0.696551
H -4.171113 -2.350565 -1.414049
H -3.920796 0.850137 1.491793
H 6.502343 -3.120377 0.882148
H 6.088633 -3.524232 -0.801794
H 6.972617 -2.020010 -0.445720
H -7.180725 -0.015037 1.143296


