%chk=000064848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064848

0 1
 I   -1.574600       1.974200      5.8899999E-02
 I   -1.023400      -4.036000       1.111100    
 I   -6.433200      -1.543600       1.203800    
 O    3.776800       2.610700      0.5742000    
 O    4.269500       1.266700       2.334000    
 O   0.5151000     -0.6929000       1.446000    
 N   0.3121000      -1.139600     -0.8534000    
 N   -4.632500       1.087000      0.5366000    
 N   -5.912700       2.365600      -1.056100    
 C    5.443900      0.9201000      0.2290000    
 C    5.103000     -0.5761000      9.9600002E-02
 C    6.875400       1.095300      0.7689000    
 C    3.977700     -0.8486000     -0.8701000    
 C    4.446500       1.588800       1.165800    
 C    7.258900       2.558600      0.9522000    
 C    2.671900     -0.8666000     -0.4072000    
 C    4.272600      -1.074600      -2.204900    
 C    1.632900      -1.117400      -1.303300    
 C    3.233400      -1.325600      -3.101000    
 C    1.913600      -1.346900      -2.650100    
 C  -0.1586000     -0.9335000      0.4500000    
 C   -1.630600      -1.049500      0.6215000    
 C   -2.423000      7.7100001E-02  0.4955000    
 C   -2.172100      -2.290500      0.9058000    
 C   -3.803200     -4.0800001E-02  0.6593000    
 C   -3.552200      -2.408400       1.069700    
 C   -4.367800      -1.283500      0.9464000    
 C   -5.085100       1.333100     -0.6528000    
 C   -6.331000       2.494600      -2.444700    
 C   -6.603200       3.202200     -8.4600002E-02
 H    5.384000       1.404700     -0.7543000    
 H    5.986800      -1.130000     -0.2457000    
 H    4.858300      -1.012500       1.077300    
 H    7.585400      0.6301000      7.4500002E-02
 H    6.983100      0.5807000       1.731800    
 H    6.654300       3.042600       1.725200    
 H    8.307500       2.634600       1.257400    
 H    7.137900       3.115500      1.7600000E-02
 H    2.522800     -0.6846000      0.6470000    
 H    5.296700      -1.057100      -2.566200    
 H    3.452000      -1.503500      -4.149900    
 H    1.113800      -1.543600      -3.359500    
 H  -0.3884000      -1.333300      -1.566300    
 H    3.144800       3.038600       1.190400    
 H   -3.993300      -3.377600       1.293600    
 H   -4.803900      0.6872000      -1.506300    
 H   -7.219300       1.881700      -2.627300    
 H   -5.537800       2.169400      -3.126300    
 H   -6.567000       3.534200      -2.694400    
 H   -6.950000       4.138400     -0.5341000    
 H   -5.939700       3.467100      0.7453000    
 H   -7.471100       2.670500      0.3180000    


%chk=000064848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064848

0 1
I -1.810687 1.983668 -1.580188
I -0.149633 -2.393683 2.492049
I -5.983531 -0.742615 2.110451
O 3.504109 1.590362 0.712061
O 4.125937 -0.004147 2.288218
O 0.932750 0.721571 0.797711
N 0.556470 -0.791207 -0.970811
N -4.611158 1.339651 -0.204612
N -6.594526 1.903320 -1.336989
C 5.667135 0.548130 0.446316
C 5.521027 -0.780574 -0.391888
C 6.926710 0.486560 1.341539
C 4.305483 -0.801131 -1.307834
C 4.390146 0.694803 1.275645
C 7.199707 1.806459 2.093609
C 3.005956 -0.932026 -0.758129
C 4.430437 -0.632702 -2.709545
C 1.863847 -0.790607 -1.571445
C 3.284185 -0.574278 -3.536366
C 1.992058 -0.629618 -2.972054
C 0.177550 -0.049494 0.134160
C -1.279443 -0.239947 0.527292
C -2.302378 0.547081 -0.051234
C -1.637050 -1.172922 1.534598
C -3.683591 0.453209 0.331005
C -2.978837 -1.309582 1.945363
C -3.976275 -0.511861 1.350178
C -5.675238 0.989982 -0.890548
C -7.780358 1.486370 -2.094965
C -6.444687 3.335485 -1.033134
H 5.725120 1.405552 -0.248793
H 6.446300 -0.901738 -0.985721
H 5.477457 -1.617037 0.332707
H 7.798824 0.229103 0.707436
H 6.797739 -0.336187 2.071439
H 6.362920 2.055075 2.771303
H 8.116128 1.729923 2.706777
H 7.330098 2.650570 1.390670
H 2.878589 -1.120928 0.312285
H 5.428052 -0.540205 -3.155270
H 3.396770 -0.454814 -4.619454
H 1.100877 -0.517580 -3.600486
H -0.192513 -1.291478 -1.456982
H 2.539687 1.391609 0.959219
H -3.242487 -2.024707 2.726907
H -5.893484 -0.050967 -1.185853
H -8.708044 1.758301 -1.555175
H -7.772987 0.393198 -2.240472
H -7.801862 1.972663 -3.089178
H -6.553169 3.931943 -1.957859
H -5.444213 3.494197 -0.602589
H -7.208917 3.666250 -0.303463


