%chk=000043745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043745

0 1
 O   -7.267300      0.4690000     -0.5332000    
 O   -1.020400     -0.7732000      8.1699997E-02
 O    7.155900     -0.1581000     -0.1753000    
 O    5.955000      -1.980900     -0.4096000    
 N   -4.667900     -0.3099000      0.3261000    
 N   4.5299999E-02  0.1310000      0.1788000    
 N    6.047200     -0.7441000     -0.2186000    
 C   -4.859900      0.7000000     -0.7239000    
 C   -5.792900      -1.255400      0.3269000    
 C   -3.399600      -1.012700      0.1443000    
 C   -6.194500       1.411400     -0.5199000    
 C   -7.105900     -0.4983000      0.5050000    
 C   -2.230700     -4.6000000E-02  0.2469000    
 C    2.466000      0.1426000      7.8900002E-02
 C    1.152500     -0.5202000      2.9899999E-02
 C    3.615600     -0.6129000     -9.0800002E-02
 C    2.529200       1.510700      0.2925000    
 C    4.860100      1.5600000E-02 -4.5800000E-02
 C    3.773300       2.139400      0.3376000    
 C    4.938900       1.391900      0.1683000    
 H   -4.841000      0.2315000      -1.716300    
 H   -4.096200       1.481300     -0.6945000    
 H   -5.684500      -1.975700       1.145800    
 H   -5.820000      -1.814900     -0.6173000    
 H   -3.360600      -1.544300     -0.8160000    
 H   -3.279000      -1.780500      0.9196000    
 H   -6.214100       1.975100      0.4209000    
 H   -6.367100       2.121900      -1.334900    
 H   -7.948600      -1.194400      0.4449000    
 H   -7.156400      9.9999997E-05   1.480800    
 H   -2.225300      0.4509000       1.225000    
 H   -2.248700      0.7135000     -0.5398000    
 H    1.150100      -1.612400     -0.1419000    
 H    3.529100      -1.684000     -0.2568000    
 H    1.637600       2.116300      0.4270000    
 H    5.890500       1.915600      0.2094000    
 H    3.834600       3.210900      0.5043000    


%chk=000043745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043745

0 1
O -7.519803 0.415049 -0.283656
O -1.021536 -0.740465 -0.064654
O 7.344496 -0.192278 -0.021724
O 6.074850 -2.049401 -0.396423
N -4.724088 -0.272131 0.127534
N 0.118901 0.135800 0.116189
N 6.206537 -0.790793 -0.137987
C -5.143445 0.640551 -0.970144
C -5.811240 -1.242035 0.425257
C -3.420462 -0.929538 -0.123663
C -6.439386 1.369800 -0.579312
C -7.096109 -0.486364 0.801328
C -2.263146 0.034526 0.175131
C 2.538028 0.140015 0.079337
C 1.238946 -0.536554 -0.049279
C 3.722555 -0.621314 -0.086356
C 2.645539 1.534196 0.364246
C 4.971730 0.018778 0.036034
C 3.907871 2.147393 0.480181
C 5.093477 1.395645 0.317329
H -5.313440 0.074838 -1.921171
H -4.351159 1.388638 -1.156897
H -5.500888 -1.880914 1.273500
H -6.023200 -1.906142 -0.450254
H -3.327410 -1.315448 -1.167831
H -3.330087 -1.798252 0.554005
H -6.251182 2.010295 0.309264
H -6.812613 1.989186 -1.411543
H -7.937376 -1.182599 0.952674
H -6.922681 0.100421 1.729113
H -2.296814 0.368769 1.227146
H -2.261880 0.918062 -0.488826
H 1.227280 -1.612929 -0.283230
H 3.690601 -1.692838 -0.306162
H 1.726722 2.115326 0.490127
H 6.085806 1.845528 0.402294
H 3.974909 3.217979 0.698421


