%chk=000043419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043419

0 1
 O    1.008300       1.464000      -1.232200    
 O   -1.879400       2.878900      3.6699999E-02
 O  -0.6842000      -1.640800      -1.300300    
 O    5.527700      0.2791000     -1.7600000E-02
 O  -0.2984000      -2.170000      0.9468000    
 O    4.941600      0.5128000       2.236600    
 N   -2.952600      0.8239000     -9.0700001E-02
 C   -3.758400      0.9753000       1.100400    
 C   -5.084600       1.674400      0.7830000    
 C   -3.992700     -0.3767000       1.782800    
 C   -6.045200      0.7790000      5.0000002E-04
 C   -4.955000      -1.268800      0.9984000    
 C   -6.271100     -0.5555000      0.7046000    
 C   -2.072200       1.801400     -0.5241000    
 C   -1.326600       1.410500      -1.785000    
 C  -6.9100000E-02  0.6790000      -1.406200    
 C   0.1936000     -0.6329000      -1.202100    
 C    1.571400     -0.6925000     -0.8649000    
 C    2.025800      0.6219000     -0.8968000    
 C    2.483700      -1.710600     -0.5369000    
 C    3.338200       1.002200     -0.6220000    
 C    4.228100     -2.6200000E-02 -0.2978000    
 C    3.811100      -1.359100     -0.2559000    
 C  -0.8702000      -2.385400     -0.1136000    
 C   -1.867100      -3.485900     -0.3260000    
 C    5.773400      0.5391000       1.339300    
 C    7.223800      0.8629000       1.543100    
 H   -3.196100       1.612600       1.794400    
 H   -4.908400       2.597700      0.2181000    
 H   -5.566200       1.967300       1.724800    
 H   -4.409100     -0.2037000       2.783300    
 H   -3.040700     -0.9031000       1.921600    
 H   -7.004400       1.293700     -0.1265000    
 H   -5.646800      0.5992000      -1.005400    
 H   -4.493200      -1.583700      5.6000002E-02
 H   -5.153500      -2.182200       1.570700    
 H   -6.809900     -0.3842000       1.644700    
 H   -6.907800      -1.196600      8.4700003E-02
 H   -3.073600     -1.2500000E-02 -0.6540000    
 H   -1.957700      0.7825000      -2.423600    
 H   -1.092700       2.318600      -2.351300    
 H    2.179400      -2.752400     -0.5038000    
 H    3.648700       2.040000     -0.6589000    
 H    4.521800      -2.142600     -3.3000000E-03
 H   -1.394600      -4.307400     -0.8688000    
 H   -2.223000      -3.844700      0.6438000    
 H   -2.727100      -3.106700     -0.8835000    
 H    7.406300       1.058400       2.603600    
 H    7.838400      1.4000000E-02   1.233800    
 H    7.486000       1.757200      0.9725000    


%chk=000043419-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043419

0 1
O 0.614049 1.382122 -1.122093
O -2.895459 3.076478 -1.571917
O -0.525125 -1.949304 -2.161993
O 4.841181 0.481413 1.103646
O -2.391578 -1.755174 -0.758405
O 6.024650 -1.521565 1.500230
N -2.876062 1.142325 -0.262772
C -3.797477 1.675784 0.768420
C -5.273752 1.292094 0.467209
C -3.377322 1.191882 2.178836
C -5.544763 -0.215863 0.685763
C -3.663737 -0.313385 2.411565
C -5.145788 -0.652643 2.116686
C -2.496266 1.893463 -1.348289
C -1.529031 1.184943 -2.346504
C -0.344032 0.521411 -1.734216
C 0.091656 -0.789101 -1.626006
C 1.362254 -0.812002 -0.930696
C 1.645957 0.551742 -0.636277
C 2.286703 -1.804245 -0.531932
C 2.794372 0.977927 0.034110
C 3.697278 -0.038207 0.421719
C 3.460168 -1.417862 0.147887
C -1.761913 -2.388095 -1.629592
C -2.164505 -3.690303 -2.272911
C 5.924169 -0.282215 1.596325
C 6.916895 0.653405 2.248687
H -3.702706 2.775229 0.706773
H -5.521987 1.597219 -0.566310
H -5.925229 1.882279 1.144333
H -3.952205 1.782655 2.920381
H -2.306508 1.417897 2.342914
H -6.614366 -0.434929 0.501869
H -4.964630 -0.809687 -0.049269
H -3.013513 -0.933766 1.761751
H -3.408830 -0.580862 3.455324
H -5.792740 -0.128587 2.851266
H -5.321672 -1.737776 2.249339
H -2.583170 0.158008 -0.215349
H -2.098063 0.436818 -2.928617
H -1.203945 1.975522 -3.044666
H 2.104942 -2.861136 -0.748188
H 2.999559 2.027300 0.255069
H 4.189325 -2.163352 0.464193
H -1.467116 -4.489440 -1.964899
H -3.185901 -3.957647 -1.968064
H -2.101466 -3.609933 -3.370956
H 7.772217 0.075614 2.626685
H 7.264782 1.407362 1.521736
H 6.436396 1.197588 3.080204


