%chk=000153590.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153590

0 1
 O   -4.160100      0.8948000      5.2400000E-02
 N   0.3984000       3.937200      8.8900000E-02
 N    3.231400      -1.707800     -0.1765000    
 N    5.155300     -0.3541000     -0.1575000    
 N    3.854100      -5.312300      0.4221000    
 C   0.7598000       1.740100     -1.1000000E-03
 C    1.387300       2.983000      3.5599999E-02
 C  -0.6521000       1.972000      3.2000002E-02
 C    2.779800       3.132000      1.7300000E-02
 C    3.573200       1.973100     -4.0700000E-02
 C    2.965000      0.7029000     -7.8800000E-02
 C  -0.8457000       3.352300      8.8000000E-02
 C    1.561900      0.5813000     -5.9200000E-02
 C    3.804600     -0.4109000     -0.1362000    
 C   -1.785400       1.132000      1.9400001E-02
 C    3.390400       4.498400      5.7799999E-02
 C   -2.116200       3.937600      0.1321000    
 C    4.970000       2.053600     -6.1900001E-02
 C   -3.062600       1.702400      6.3100003E-02
 C   -3.223200       3.084800      0.1186000    
 C    3.959700      -2.881500      0.1769000    
 C    5.702800      0.8780000     -0.1196000    
 C    3.083800      -4.122200      8.5000001E-02
 C   -3.929100     -0.5113000     -5.2000000E-03
 C    5.004900      -5.452900     -0.4725000    
 C    3.012100      -6.508400      0.3563000    
 C   -5.249400      -1.223400     -4.0399998E-02
 C   -5.860000      -1.600900       1.150500    
 C   -5.850300      -1.499900      -1.263300    
 C   -7.087100      -2.263500       1.117900    
 C   -7.077500      -2.162300      -1.296000    
 C   -7.695700      -2.544100     -0.1052000    
 H    1.061900     -0.3822000     -7.7299997E-02
 H   0.5525000       4.934900      0.1242000    
 H   -1.596400      6.6399999E-02 -2.1700000E-02
 H    4.023600       4.607400      0.9449000    
 H    3.991500       4.674700     -0.8407000    
 H    2.647100       5.299000      0.1014000    
 H   -2.242000       5.014300      0.1753000    
 H    5.507800       2.995400     -3.5100002E-02
 H    2.402600      -1.814900     -0.7512000    
 H   -4.221700       3.514300      0.1524000    
 H    4.809800      -2.947800     -0.5086000    
 H    4.356300      -2.784000       1.195600    
 H    6.787500      0.9016000     -0.1375000    
 H    2.243800      -4.011900      0.7832000    
 H    2.649300      -4.201000     -0.9212000    
 H   -3.371100     -0.8513000      0.8774000    
 H   -3.370400     -0.7804000     -0.9116000    
 H    5.797400      -4.736400     -0.2356000    
 H    4.730500      -5.360900      -1.529800    
 H    5.473100      -6.436100     -0.3387000    
 H    3.574900      -7.394300      0.6707000    
 H    2.623500      -6.685400     -0.6532000    
 H    2.162600      -6.419000       1.042600    
 H   -5.396200      -1.385400       2.109200    
 H   -5.379300      -1.205200      -2.197000    
 H   -7.569000      -2.560200       2.045000    
 H   -7.551900      -2.380300      -2.248300    
 H   -8.651400      -3.059500     -0.1306000    


%chk=000153590-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153590

0 1
O -4.240374 0.841235 -0.091810
N 0.386600 4.006526 -0.014784
N 3.428330 -1.705736 0.052788
N 5.280286 -0.302670 0.207640
N 4.223681 -5.401855 0.128373
C 0.799674 1.737722 0.026008
C 1.416429 3.050551 0.029147
C -0.645148 1.941858 -0.015235
C 2.805068 3.240197 0.083801
C 3.626236 2.060092 0.125889
C 3.024828 0.733908 0.100839
C -0.863736 3.357105 -0.041270
C 1.608149 0.595602 0.064474
C 3.931498 -0.417642 0.119661
C -1.746684 1.051663 -0.031701
C 3.425158 4.624666 0.106864
C -2.164742 3.901366 -0.085206
C 5.061441 2.139814 0.209195
C -3.049789 1.599563 -0.073634
C -3.253797 3.010135 -0.100933
C 4.298491 -2.891775 0.055947
C 5.812031 0.968103 0.262253
C 3.428636 -4.158566 0.192332
C -4.093271 -0.632996 -0.057097
C 4.734818 -5.707873 -1.223549
C 3.513826 -6.554792 0.718822
C -5.475926 -1.240888 -0.075607
C -6.164742 -1.496243 1.136319
C -6.106826 -1.553832 -1.305391
C -7.462766 -2.053434 1.120920
C -7.404734 -2.111216 -1.325461
C -8.085107 -2.362878 -0.111103
H 1.132393 -0.391566 0.085601
H 0.519159 5.014048 -0.019365
H -1.578896 -0.028883 -0.010799
H 4.010800 4.789486 1.031052
H 4.114795 4.772872 -0.745320
H 2.667312 5.425376 0.054689
H -2.337081 4.982577 -0.105995
H 5.567792 3.107685 0.238916
H 2.448922 -1.842241 -0.191843
H -4.283972 3.377192 -0.133661
H 4.912334 -2.916328 -0.866398
H 5.006126 -2.825112 0.898632
H 6.904643 1.005966 0.341697
H 2.921457 -4.126955 1.175464
H 2.620402 -4.142235 -0.593019
H -3.543294 -0.917799 0.863729
H -3.502258 -0.956658 -0.938896
H 5.360034 -4.880504 -1.597907
H 3.917678 -5.891834 -1.968414
H 5.367471 -6.612003 -1.179829
H 4.182417 -7.434175 0.727735
H 2.582527 -6.838835 0.164165
H 3.235753 -6.328231 1.763373
H -5.684779 -1.251312 2.091541
H -5.581774 -1.353420 -2.247206
H -7.986501 -2.246715 2.063658
H -7.883394 -2.349279 -2.281811
H -9.091208 -2.797025 -0.124677


