%chk=000170621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170621

0 1
 O    2.860800     -0.8294000      -1.466800    
 O   0.2052000       1.931600     -7.4299999E-02
 O    4.415800      -2.505000      -1.830700    
 N   -3.485800     -0.9909000     -0.8698000    
 C    2.175300     -0.2095000     -0.3329000    
 C   0.6848000     -0.4250000     -0.5065000    
 C    2.543400       1.260700     -0.3040000    
 C    2.744700     -0.9753000      0.8177000    
 C  -0.1998000      0.6482000     -0.3501000    
 C    3.646900      -1.915700      0.3539000    
 C    1.543600       2.229300     -0.1600000    
 C   0.1501000      -1.693400     -0.7935000    
 C    3.724700      -1.828100      -1.096200    
 C    3.879900       1.689500     -0.3878000    
 C    2.494000     -0.8607000       2.176000    
 C   -1.581200      0.4600000     -0.4667000    
 C   -2.093600     -0.8031000     -0.7512000    
 C   -1.228000      -1.879800     -0.9165000    
 C    1.868000       3.588400     -9.0700001E-02
 C    4.203100       3.046200     -0.3260000    
 C    4.332800      -2.772400       1.194700    
 C    3.197000       3.995400     -0.1755000    
 C    3.172700      -1.713500       3.051300    
 C    4.086200      -2.663000       2.563400    
 C   -3.977300      -1.845500      -1.963400    
 C    5.627900       3.477500     -0.4160000    
 C   -4.501300     -0.2537000     -0.1972000    
 C   -4.523900      -3.157500      -1.439500    
 C   -5.018200      0.8923000     -0.7862000    
 C   -4.959400     -0.6902000       1.038400    
 C   -6.012100       1.615400     -0.1267000    
 C   -5.953600      3.2900002E-02   1.697700    
 C   -6.480000       1.185700       1.115100    
 C   -7.543000       1.958500       1.820100    
 H   0.8024000      -2.554500     -0.9157000    
 H    4.679100      0.9598000     -0.4985000    
 H    1.790000     -0.1295000       2.558800    
 H   -2.233900       1.319600     -0.3392000    
 H   -1.590900      -2.881900      -1.123400    
 H    1.086300       4.334800      2.4700001E-02
 H    5.036800      -3.503800      0.8147000    
 H    3.433500       5.054800     -0.1250000    
 H    2.992900      -1.642300       4.120600    
 H    4.604000      -3.316900       3.259800    
 H   -4.764100      -1.330300      -2.530400    
 H   -3.190400      -2.048700      -2.701100    
 H    6.284000       2.769700      0.1021000    
 H    5.935400       3.541700      -1.464500    
 H    5.779900       4.456300      5.1600002E-02
 H   -3.786900      -3.693000     -0.8333000    
 H   -5.413000      -3.002100     -0.8202000    
 H   -4.812400      -3.805700      -2.273200    
 H   -4.661200       1.236800      -1.753000    
 H   -4.554600      -1.586700       1.500300    
 H   -6.415400       2.511200     -0.5917000    
 H   -6.310800     -0.3131000       2.664100    
 H   -7.435900       1.876300       2.907100    
 H   -7.487100       3.024000       1.572700    
 H   -8.531100       1.583800       1.535500    


%chk=000170621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170621

0 1
O 2.607159 -0.262772 -1.852489
O 0.027874 1.984831 -0.154206
O 4.155425 -1.575428 -3.012379
N -3.591024 -1.168461 -0.726474
C 2.103914 -0.119587 -0.361447
C 0.623893 -0.408499 -0.362776
C 2.407051 1.308969 0.047302
C 2.955645 -1.174629 0.341842
C -0.337757 0.632058 -0.312817
C 3.806074 -1.824579 -0.573307
C 1.382155 2.283141 0.085567
C 0.116556 -1.723710 -0.512604
C 3.598115 -1.266387 -1.940392
C 3.732904 1.729502 0.328547
C 2.967218 -1.529367 1.703210
C -1.718426 0.400635 -0.416100
C -2.212786 -0.924116 -0.571022
C -1.255119 -1.992359 -0.605859
C 1.665247 3.633823 0.384334
C 4.049700 3.069669 0.631012
C 4.693330 -2.843684 -0.172354
C 2.988594 4.019404 0.652504
C 3.854228 -2.551147 2.120522
C 4.710485 -3.204095 1.193624
C -4.086265 -2.515179 -1.105826
C 5.479013 3.501992 0.907056
C -4.581768 -0.176150 -0.387155
C -4.317432 -3.449271 0.104984
C -5.565089 0.204551 -1.334774
C -4.616869 0.411095 0.904180
C -6.564143 1.140974 -0.992836
C -5.609686 1.357815 1.230684
C -6.607655 1.735810 0.294287
C -7.697072 2.726494 0.665588
H 0.823172 -2.559841 -0.558067
H 4.536622 0.984749 0.296371
H 2.308260 -1.029305 2.420575
H -2.391094 1.260555 -0.395558
H -1.581332 -3.030072 -0.704270
H 0.840453 4.352132 0.402872
H 5.341234 -3.329987 -0.908863
H 3.207862 5.068638 0.884048
H 3.881780 -2.844503 3.175932
H 5.386223 -3.991456 1.544700
H -5.040700 -2.381885 -1.644176
H -3.379068 -2.968787 -1.823462
H 6.156425 2.634700 0.986086
H 5.863690 4.151787 0.097914
H 5.553557 4.076714 1.848926
H -3.385182 -3.613810 0.672872
H -5.063112 -3.012055 0.792454
H -4.695425 -4.431667 -0.234018
H -5.530178 -0.214906 -2.346625
H -3.862613 0.124659 1.645022
H -7.311248 1.426612 -1.743360
H -5.616712 1.802273 2.233519
H -7.334137 3.475370 1.391508
H -8.073618 3.265946 -0.221219
H -8.562047 2.213000 1.129294


