%chk=000152018.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152018

0 1
 O   -2.856400      0.2866000      0.1144000    
 O  -0.3282000       1.562400      0.5194000    
 O    4.537200       2.161400      0.4309000    
 O    5.483700      9.7300000E-02  -1.171700    
 N  -0.7585000     -0.6894000      0.6480000    
 N    1.220500      -1.991300      -1.268500    
 C  -0.3451000      -2.084800      0.6104000    
 C   -1.513800      -2.842500       1.244700    
 C   -2.164700     -0.5590000       1.019200    
 C   -2.721800      -1.975300      0.9333000    
 C  -8.6499996E-02  -2.444900     -0.8417000    
 C   5.8600001E-02  0.3979000      0.4048000    
 C    1.471400      0.1690000     -2.3600001E-02
 C    1.937500     -0.8926000     -0.8276000    
 C   -4.246100      0.3368000      0.4068000    
 C    2.365900       1.184900      0.3837000    
 C   -4.929900       1.241000     -0.6088000    
 C    3.306400     -0.8703000      -1.191800    
 C    3.707000       1.168200      9.8000001E-03
 C    4.178800      0.1391000     -0.7852000    
 C   -6.428600       1.353800     -0.3438000    
 C   -7.100400       2.291500      -1.334000    
 C    5.213000       1.960400       1.671200    
 H   0.5568000      -2.223000       1.219400    
 H   -1.374300      -2.884900       2.332400    
 H   -1.619700      -3.868800      0.8816000    
 H   -2.205300     -0.1503000       2.036300    
 H   -3.086000      -2.206200     -7.5900003E-02
 H   -3.541400      -2.152000       1.636900    
 H  -0.1159000      -3.533100     -0.9680000    
 H  -0.8486000      -2.024700      -1.509100    
 H    1.678600      -2.578700      -1.958900    
 H   -4.391200      0.7307000       1.419700    
 H   -4.709100     -0.6526000      0.3427000    
 H    2.020900       2.007900       1.008100    
 H   -4.750700      0.8550000      -1.620100    
 H   -4.463700       2.233900     -0.5800000    
 H    3.699900      -1.679700      -1.808100    
 H   -6.600600       1.724700      0.6733000    
 H   -6.894700      0.3639000     -0.4113000    
 H   -6.679900       3.300000      -1.266800    
 H   -6.973700       1.933800      -2.360800    
 H   -8.173200       2.356400      -1.126800    
 H    5.628100     -0.6926000      -1.720400    
 H    5.853200       1.073900       1.622200    
 H    4.491800       1.858600       2.488300    
 H    5.840300       2.834800       1.865100    


%chk=000152018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152018

0 1
O -3.334356 -0.864433 0.200351
O -1.011483 0.940356 1.315160
O 3.528307 2.706007 0.648632
O 4.788626 1.016777 -1.286237
N -1.044953 -1.339138 0.936619
N 1.014786 -2.024838 -1.275788
C -0.385915 -2.633213 0.671861
C -1.358910 -3.658513 1.311269
C -2.495948 -1.456087 1.243439
C -2.749596 -2.983389 1.243781
C -0.149526 -2.810679 -0.844877
C -0.418135 -0.101811 0.870993
C 0.961315 -0.010248 0.285480
C 1.563385 -0.868437 -0.703824
C -3.987809 0.421234 0.559470
C 1.687647 1.141623 0.708306
C -4.574746 1.003562 -0.728769
C 2.854274 -0.499651 -1.202122
C 2.950604 1.492708 0.223638
C 3.533527 0.649192 -0.770061
C -5.350803 2.316832 -0.473922
C -5.938374 2.917516 -1.769118
C 4.870848 2.611343 1.257775
H 0.600161 -2.661522 1.172970
H -1.061451 -3.827107 2.361700
H -1.336925 -4.634342 0.796081
H -2.703128 -0.954251 2.208834
H -3.265906 -3.220321 0.297448
H -3.410487 -3.284177 2.072874
H 0.061592 -3.873632 -1.074924
H -1.073785 -2.519336 -1.384291
H 1.554193 -2.421945 -2.044142
H -3.236552 1.097996 1.005982
H -4.795108 0.220715 1.298256
H 1.199106 1.807029 1.426325
H -5.246163 0.255349 -1.195413
H -3.748853 1.187139 -1.442956
H 3.327937 -1.142837 -1.958769
H -4.675813 3.054957 0.004180
H -6.170261 2.126938 0.249787
H -5.136896 3.154287 -2.493883
H -6.632016 2.206270 -2.256363
H -6.496385 3.850009 -1.565377
H 5.056883 0.408855 -2.019370
H 5.606912 2.218447 0.535499
H 4.842744 1.969103 2.160320
H 5.129039 3.642862 1.542878


