%chk=000149876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149876

0 1
 O   -5.047700     -0.9210000      0.4009000    
 O   -3.405000       2.179400      0.9003000    
 O   -1.617700      -3.317800     -0.2346000    
 O   -5.763600       1.043800       1.217500    
 O    3.683800      -3.294800      0.2943000    
 N  -0.2345000      -1.470000     -9.9100001E-02
 N    1.902700       1.419600      6.4199999E-02
 C   -3.661400       1.074500      2.9800000E-02
 C   -2.469600      0.1575000      8.8999998E-03
 C  -7.9300001E-02 -9.6100003E-02 -1.5699999E-02
 C   -2.647700      -1.172500     -8.6199999E-02
 C    1.076500      -2.149900     -0.1450000    
 C    2.029500      -1.002300     -7.9899997E-02
 C    1.345600      0.2027000     -5.2000000E-03
 C   -1.130600      0.7258000      3.4200002E-02
 C   -1.463800      -2.102000     -0.1462000    
 C   -3.987100       1.608600      -1.366900    
 C   -4.013900      -1.765100     -0.1517000    
 C   -4.901000      0.4075000      0.6146000    
 C    3.404000     -0.9762000     -8.4899999E-02
 C    4.044600      0.2720000     -1.3700000E-02
 C    3.251100       1.451800      5.9700001E-02
 C   -5.168400       2.556900      -1.331100    
 C    4.127200      -2.241000     -0.1635000    
 C    5.445500      0.3647000     -1.4400000E-02
 C    3.907600       2.676200      0.1290000    
 C    6.071000       1.606300      5.6400001E-02
 C    5.302000       2.761400      0.1280000    
 H    1.147300      -2.713300      -1.080200    
 H    1.144000      -2.816200      0.7200000    
 H   -1.004400       1.801400      8.4899999E-02
 H   -4.202400      0.7906000      -2.065200    
 H   -3.126300       2.161100      -1.765100    
 H   -4.286400      -1.999800      -1.185900    
 H   -4.053100      -2.695000      0.4249000    
 H   -6.108300       2.039300      -1.118600    
 H   -5.036900       3.365200     -0.6054000    
 H   -5.287900       3.024700      -2.315000    
 H   -3.143400       1.829500       1.769600    
 H    5.113400      -2.238600     -0.6524000    
 H    6.091300     -0.5067000     -5.3300001E-02
 H    3.330500       3.597400      0.1863000    
 H    7.154900       1.671900      5.9099998E-02
 H    5.784500       3.732900      0.1843000    


%chk=000149876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149876

0 1
O -4.939992 -0.892547 0.732360
O -3.355355 2.451402 0.694144
O -1.570558 -3.271388 -0.380063
O -5.460533 1.103251 1.721947
O 3.564945 -3.465072 -0.411667
N -0.219075 -1.363717 -0.183636
N 2.025395 1.435125 0.137965
C -3.667231 1.176061 0.061639
C -2.418760 0.301413 0.006161
C -0.031947 0.011443 -0.027269
C -2.603750 -1.075352 -0.135908
C 1.061769 -2.122246 -0.265361
C 2.087440 -1.021923 -0.137432
C 1.417857 0.245297 0.001984
C -1.112731 0.876058 0.072809
C -1.482700 -2.006695 -0.243947
C -4.199208 1.443051 -1.390733
C -3.990552 -1.660031 -0.143593
C -4.757002 0.465071 0.906729
C 3.487549 -1.064660 -0.135747
C 4.199822 0.195860 0.009148
C 3.414353 1.419181 0.143091
C -5.475373 2.304902 -1.433386
C 4.181115 -2.370653 -0.279142
C 5.627077 0.311095 0.028182
C 4.077016 2.679351 0.288277
C 6.245993 1.557337 0.171224
C 5.470120 2.750592 0.302629
H 1.125212 -2.684271 -1.214237
H 1.116696 -2.882334 0.534810
H -0.972159 1.946610 0.220492
H -4.364053 0.482087 -1.914813
H -3.377389 1.961254 -1.919848
H -4.440136 -1.690944 -1.154358
H -3.986590 -2.681947 0.264977
H -6.334031 1.803145 -0.952272
H -5.309838 3.268760 -0.922611
H -5.752124 2.517948 -2.481176
H -4.072893 2.626726 1.366239
H 5.293287 -2.360502 -0.264367
H 6.255670 -0.578779 -0.069498
H 3.446273 3.567561 0.386345
H 7.339347 1.620626 0.183087
H 5.973643 3.716251 0.414524


