%chk=000226615.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226615

0 1
 O  -0.6471000       2.175500      0.1152000    
 O    5.105600      8.4600002E-02  -1.516600    
 O    2.819700      -1.299500       2.234700    
 N   -3.410700       1.164300     -0.6866000    
 N    3.941000     -0.5828000      0.3549000    
 N   -4.579500       1.069800     -2.2500001E-02
 C   -1.230400      0.1704000      -1.063700    
 C   -1.042100      -2.287900     -0.3756000    
 C  -0.8117000      -1.242700      -1.475500    
 C   -3.030100     -0.9386000      0.5133000    
 C   -2.522300      -2.299400      2.9600000E-02
 C  -0.2144000      0.8445000     -0.1462000    
 C   -2.615100      0.1733000     -0.4381000    
 C    1.170900      0.8823000     -0.7922000    
 C    2.202900       1.583600      9.5200002E-02
 C  -0.6120000      -3.673400     -0.8595000    
 C   -2.600600     -0.6212000       1.942500    
 C    3.573300       1.662400     -0.5699000    
 C    2.337300      0.9141000       1.459200    
 C    4.268100      0.3232000     -0.6467000    
 C    3.026900     -0.4282000       1.390300    
 C   -5.129900       2.325800      0.4581000    
 H   -1.309300      0.7717000      -1.981500    
 H   -1.438400      -1.525500      -2.335000    
 H   0.2081000      -1.300000      -1.861100    
 H  -0.4243000      -2.038800      0.4950000    
 H   -4.118900      -1.058600      0.5327000    
 H  -0.1854000      0.3199000      0.8068000    
 H   -2.690900      -3.055800      0.8065000    
 H   -3.123600      -2.608000     -0.8369000    
 H    1.534700     -0.1238000      -1.008900    
 H    1.114300       1.419900      -1.747700    
 H    1.865800       2.615600      0.2584000    
 H   0.4492000      -3.677100      -1.130000    
 H  -0.7592000      -4.421400     -7.3399998E-02
 H   -1.186600      -3.986900      -1.737500    
 H   -1.526600     -0.7492000       2.096200    
 H   -2.856100      0.4059000       2.222800    
 H   -3.104500      -1.293700       2.645700    
 H    4.228800       2.334600     -2.9000000E-03
 H    3.482000       2.067000      -1.584300    
 H    1.387400      0.8088000       1.987300    
 H    2.966400       1.544700       2.102000    
 H  -0.6723000       2.655900     -0.7299000    
 H    4.420400      -1.478200      0.3168000    
 H   -5.266600      0.6355000     -0.6398000    
 H   -6.065400       2.140700      0.9943000    
 H   -5.338000       3.009100     -0.3714000    
 H   -4.436800       2.813400       1.151100    


%chk=000226615-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226615

0 1
O -0.520699 2.159173 0.033108
O 5.254651 -0.184784 -1.249429
O 2.859168 -0.654889 2.685521
N -3.157993 1.291748 -0.196931
N 4.039109 -0.332848 0.717109
N -4.266959 1.510158 0.604324
C -1.277398 0.076387 -1.066947
C -1.135820 -2.465226 -0.565321
C -0.928536 -1.334729 -1.601023
C -3.094486 -1.133936 0.480670
C -2.625848 -2.473641 -0.150031
C -0.164593 0.750140 -0.180097
C -2.597311 0.090166 -0.290317
C 1.236904 0.732307 -0.820875
C 2.239878 1.687022 -0.118480
C -0.707921 -3.833183 -1.136609
C -2.677144 -1.035179 1.982317
C 3.635911 1.615382 -0.783286
C 2.395987 1.399225 1.395912
C 4.378500 0.314853 -0.494617
C 3.078812 0.069451 1.678150
C -5.021295 2.736475 0.324610
H -1.390242 0.761722 -1.931587
H -1.583431 -1.552230 -2.470592
H 0.107257 -1.348412 -1.987053
H -0.512164 -2.256121 0.329684
H -4.209091 -1.135833 0.450658
H -0.124134 0.232760 0.804961
H -2.820966 -3.293356 0.569610
H -3.230777 -2.689597 -1.055245
H 1.627827 -0.304501 -0.809676
H 1.149458 1.040298 -1.882217
H 1.836308 2.708874 -0.221400
H 0.360674 -3.832882 -1.421360
H -0.861118 -4.642935 -0.399127
H -1.296727 -4.083808 -2.040637
H -1.586971 -1.165479 2.098386
H -2.945625 -0.055368 2.416786
H -3.177217 -1.826455 2.570819
H 4.274315 2.445593 -0.416958
H 3.580053 1.720225 -1.880537
H 1.427624 1.412208 1.918768
H 3.014788 2.195211 1.859404
H -1.525943 2.227095 -0.018825
H 4.532963 -1.213525 0.911024
H -4.802249 0.697959 0.938476
H -5.716351 2.928125 1.160336
H -5.600078 2.690596 -0.622228
H -4.317095 3.581559 0.255970


