%chk=000037838.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037838

0 1
 O  -0.4947000       1.084200      0.2098000    
 O    2.237600     -5.1500000E-02  -1.834100    
 O   6.8200000E-02   1.484700      -1.988900    
 N   -4.591300      0.2430000      0.3843000    
 C    2.424100      0.8379000      0.3529000    
 C    3.765700      0.1460000      0.5723000    
 C    2.846400       2.210000     -0.1631000    
 C    1.514900      9.0999998E-02 -0.6072000    
 C    4.656000       1.238800       1.155900    
 C    4.057100       2.567800      0.6923000    
 C   -1.884600       1.262800     -3.1800002E-02
 C   0.2963000      0.9648000     -0.9033000    
 C    1.092600      -1.308000     -0.1785000    
 C   -2.607800       1.396500       1.304500    
 C   -2.435400      7.3600002E-02 -0.8138000    
 C   -4.123900       1.429600       1.115400    
 C   -3.956800      0.1478000     -0.9383000    
 C   0.9300000      -2.279900      -1.143900    
 C   0.8855000      -1.559800       1.161800    
 C   -6.047900      0.2642000      0.2525000    
 C   0.5427000      -3.561100     -0.7513000    
 C   0.4984000      -2.841100       1.554500    
 C   0.3269000      -3.841700      0.5979000    
 H    1.940300      0.9977000       1.325800    
 H    4.207300     -0.2076000     -0.3668000    
 H    3.698600     -0.7112000       1.248900    
 H    2.056400       2.961300     -6.3800000E-02
 H    3.162400       2.196400      -1.211000    
 H    5.694000       1.124100      0.8275000    
 H    4.651400       1.192000       2.251100    
 H    3.747900       3.158000       1.562900    
 H    4.781200       3.167100      0.1311000    
 H   -2.031100       2.190000     -0.6016000    
 H   -2.271500       2.305100       1.818600    
 H   -2.328500      0.5629000       1.962900    
 H   -2.148800     -0.8629000     -0.3167000    
 H   -2.003000      2.0300001E-02  -1.818800    
 H   -4.409500       2.350400      0.5899000    
 H   -4.591200       1.462200       2.107100    
 H   -4.302300     -0.7586000      -1.450200    
 H   -4.233800       1.003700      -1.567800    
 H    2.231200      0.7939000      -2.312200    
 H    1.071100      -2.088400      -2.202900    
 H   0.9904000     -0.8030000       1.930400    
 H   -6.402300     -0.6441000     -0.2475000    
 H   -6.399700       1.131700     -0.3177000    
 H   -6.523400      0.2841000       1.239400    
 H   0.4041000      -4.339300      -1.496300    
 H   0.3255000      -3.058700       2.604500    
 H   2.3200000E-02  -4.838600      0.9033000    


%chk=000037838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037838

0 1
O -0.608278 0.569358 -0.005201
O 2.398233 -0.012231 -1.993940
O -0.169575 0.625790 -2.292008
N -4.801582 0.993388 0.613055
C 2.275557 0.651502 0.363635
C 3.745087 0.234503 0.626949
C 2.393277 2.170457 0.082203
C 1.600782 -0.169404 -0.777218
C 4.339763 1.417203 1.446108
C 3.451565 2.667022 1.109517
C -2.022595 1.038983 -0.245507
C 0.188275 0.379562 -1.109315
C 1.486100 -1.669127 -0.400140
C -2.467424 1.760800 1.029255
C -2.926278 -0.164643 -0.552793
C -3.949718 2.173691 0.890045
C -4.394095 0.307803 -0.636810
C 2.175888 -2.635066 -1.170623
C 0.734453 -2.091993 0.726659
C -6.239881 1.325006 0.625990
C 2.113530 -4.004009 -0.825037
C 0.674099 -3.460301 1.070987
C 1.362463 -4.423229 0.296410
H 1.675197 0.495836 1.281484
H 4.260129 0.136075 -0.345849
H 3.826368 -0.732446 1.153199
H 1.428876 2.702727 0.179061
H 2.761476 2.308322 -0.951504
H 5.401479 1.585805 1.191794
H 4.299234 1.199193 2.529513
H 2.954422 3.040486 2.024256
H 4.047780 3.503559 0.703085
H -1.996905 1.727548 -1.112283
H -1.839057 2.652488 1.207626
H -2.359085 1.079581 1.892524
H -2.828892 -0.907596 0.259528
H -2.627133 -0.638362 -1.504516
H -4.045460 2.947281 0.080794
H -4.292130 2.641937 1.830833
H -5.053341 -0.566003 -0.789901
H -4.518670 0.977012 -1.530230
H 1.759215 0.181612 -2.736693
H 2.764242 -2.293203 -2.026758
H 0.188177 -1.357211 1.327402
H -6.834850 0.404309 0.490473
H -6.536016 2.048949 -0.175355
H -6.511776 1.765793 1.601702
H 2.654279 -4.741096 -1.429780
H 0.088786 -3.774802 1.942786
H 1.313908 -5.484759 0.564587


