%chk=000009004.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009004

1 1
 O   -5.206400      0.1650000     -0.6449000    
 O   0.1232000       1.190600       1.101100    
 O   0.9534000       2.758400     -0.3673000    
 O    3.724800       2.910000     -0.4291000    
 N   -2.595500     -0.6645000     -0.4037000    
 C   -2.702200      0.7541000      -1.195700    
 C   -3.261700     -0.1811000      0.9020000    
 C   -4.210400       1.150700     -0.9462000    
 C   -4.474900      0.6532000      0.4711000    
 C   -1.331300       1.409400     -0.8244000    
 C   -2.200100      0.7097000       1.639500    
 C   -1.213100       1.577900      0.7522000    
 C   -1.105100      -1.084000     -0.2197000    
 C   -3.216200      -1.938200      -1.003200    
 C   -1.049500      -2.426700      0.4937000    
 C   0.3959000      -2.858500      0.7379000    
 C    1.118500       1.870100      0.4589000    
 C   0.4640000      -4.182300       1.482600    
 C    2.473200       1.346100      0.9266000    
 C    3.515900       2.473100      0.9103000    
 C    2.907900      0.1446000      0.1025000    
 C    3.701500     -0.8189000      0.6925000    
 C    2.496200      5.1199999E-02  -1.212100    
 C    4.100200      -1.921200     -6.3400000E-02
 C    2.894800      -1.051300      -1.967800    
 C    3.696800      -2.037600      -1.393400    
 H   -2.642700      0.4667000      -2.252800    
 H   -3.560500      -1.045500       1.503200    
 H   -4.487700       2.156900      -1.215200    
 H   -4.948500       1.279600       1.207000    
 H   -1.372500       2.422500      -1.247800    
 H  -0.4869000      0.9312000      -1.327200    
 H   -1.612300      6.4499997E-02   2.306400    
 H   -2.734000       1.395700       2.310600    
 H   -1.350900       2.632700       1.022400    
 H  -0.6735000      -1.183800      -1.223400    
 H  -0.4954000     -0.4737000      0.3835000    
 H   -4.126800      -1.656500      -1.534100    
 H   -2.541800      -2.360900      -1.754900    
 H   -3.486300      -2.633000     -0.2039000    
 H   -1.572200      -2.378400       1.456000    
 H   -1.491500      -3.244100     -8.2800001E-02
 H   0.9185000      -2.096900       1.327200    
 H   0.9206000      -2.956900     -0.2184000    
 H  -1.9900000E-02  -4.980700      0.9112000    
 H  -2.7899999E-02  -4.110100       2.457900    
 H    1.507200      -4.468900       1.649000    
 H    2.347200       1.038900       1.974400    
 H    4.475800       2.147300       1.324900    
 H    3.165100       3.333200       1.489900    
 H    4.019900     -0.7351000       1.727200    
 H    1.896800      0.8077000      -1.704400    
 H    4.262400       2.237200     -0.8798000    
 H    4.724000      -2.689500      0.3840000    
 H    2.585200      -1.139700      -3.005100    
 H    4.007500      -2.895700      -1.982000    


%chk=000009004-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009004

1 1
O -5.098785 0.816033 0.725853
O 0.503229 1.007670 0.812216
O 0.778981 3.281916 0.438673
O 1.871339 0.124825 -1.736529
N -2.922869 -0.516884 -0.397293
C -2.945905 1.022571 -0.712460
C -2.890635 -0.475309 1.168527
C -3.868978 1.610336 0.362900
C -3.833184 0.679603 1.531923
C -1.539920 1.606759 -0.460472
C -1.475681 -0.061797 1.629195
C -0.959593 1.250093 0.957466
C -1.691259 -1.218345 -1.037583
C -4.170761 -1.228053 -0.944440
C -1.583360 -2.726012 -0.748973
C -0.216833 -3.257463 -1.259525
C 1.277136 2.134770 0.470683
C -0.082715 -4.783147 -1.076448
C 2.687139 1.782830 0.021865
C 2.609407 1.366317 -1.498124
C 3.491322 0.773841 0.842318
C 4.808751 1.132990 1.231423
C 3.024329 -0.532068 1.155336
C 5.639955 0.218786 1.915465
C 3.857157 -1.446508 1.840169
C 5.167557 -1.078017 2.219718
H -3.286785 1.157690 -1.751872
H -3.194816 -1.460205 1.555491
H -3.968253 2.696609 0.431629
H -3.903121 0.988411 2.578342
H -1.590593 2.704890 -0.555913
H -0.833893 1.267152 -1.237090
H -0.753690 -0.871884 1.437124
H -1.495822 0.071363 2.725345
H -1.098762 2.116021 1.627100
H -1.787748 -1.034405 -2.123239
H -0.776279 -0.712492 -0.701554
H -5.067601 -0.669664 -0.655713
H -4.072262 -1.286262 -2.039821
H -4.207550 -2.241257 -0.519546
H -1.661066 -2.931517 0.337524
H -2.388992 -3.294202 -1.247865
H 0.602025 -2.740447 -0.718638
H -0.097544 -2.999442 -2.330387
H -0.862208 -5.324691 -1.642921
H -0.173855 -5.072639 -0.013134
H 0.897865 -5.138390 -1.437469
H 3.223311 2.750086 0.026760
H 3.646994 1.290263 -1.876828
H 2.072410 2.139532 -2.071793
H 5.187016 2.137102 1.003376
H 1.996315 -0.812652 0.908793
H 2.415667 -0.633500 -1.401881
H 6.650478 0.518993 2.211707
H 3.482161 -2.447368 2.082624
H 5.809577 -1.788334 2.750968


