%chk=000038872.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038872

0 1
 O  -0.8087000      -2.758800       1.620600    
 O    1.346300      -1.218400      0.6814000    
 N   -1.718500      0.2952000     -0.2664000    
 C   -2.323000       1.578400      0.1676000    
 C   -2.995400     -2.9700000E-02 -0.9480000    
 C   -3.285400       1.475900      -1.024300    
 C   -1.500300     -0.5867000      0.8733000    
 C   -2.983100       1.533700       1.528600    
 C   -1.317500       2.712000      0.1293000    
 C   -2.761800     -0.7416000      -2.265500    
 C   -3.971100     -0.8259000     -0.1089000    
 C  -0.9312000      -1.943400      0.4517000    
 C   0.4367000      -1.842100     -0.2196000    
 C    2.368100     -0.4977000      0.1235000    
 C    2.905100      0.5996000      0.7896000    
 C    2.862100     -0.8792000      -1.120400    
 C    3.946000       1.322200      0.2065000    
 C    2.383700       1.018800       2.124500    
 C    3.903000     -0.1566000      -1.703400    
 C    4.444900      0.9441000      -1.040000    
 H   -4.319500       1.788300     -0.8503000    
 H   -2.928800       1.962800      -1.941100    
 H  -0.7455000     -0.1135000       1.518000    
 H   -2.322500     -0.7833000       1.567000    
 H   -3.240900       2.568400       1.805900    
 H   -3.955000       1.059500       1.609600    
 H   -2.328800       1.217000       2.347400    
 H   -1.812000       3.682900      0.2465000    
 H  -0.5727000       2.616900      0.9273000    
 H  -0.7753000       2.740300     -0.8233000    
 H   -2.014800     -0.2220000      -2.877600    
 H   -2.416300      -1.771500      -2.136000    
 H   -3.686200     -0.7797000      -2.853400    
 H   -3.717500      -1.893000     -9.3000002E-02
 H   -4.188600     -0.5623000      0.9170000    
 H   -4.953800     -0.7901000     -0.6014000    
 H   -1.610200      -2.480800     -0.2124000    
 H   0.3249000      -1.284200      -1.157500    
 H   0.8103000      -2.850200     -0.4354000    
 H  -0.1631000      -2.333900       2.211100    
 H    2.493600      -1.747400      -1.658100    
 H    4.379300       2.182400      0.7099000    
 H    2.949700       1.859800       2.539200    
 H    1.338100       1.331400       2.042500    
 H    2.455800      0.1920000       2.839000    
 H    4.296900     -0.4550000      -2.670600    
 H    5.256400       1.505700      -1.493400    


%chk=000038872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038872

0 1
O -0.298721 -2.765605 1.475577
O 1.348069 -0.716008 0.576579
N -2.207156 0.036147 -0.208967
C -2.483041 1.529055 -0.112825
C -3.560852 -0.260158 -0.837969
C -3.754388 1.292445 -1.008051
C -1.621102 -0.743425 0.886799
C -2.822555 2.058347 1.301443
C -1.358125 2.370063 -0.742755
C -3.451780 -1.055644 -2.153341
C -4.602994 -0.914369 0.098429
C -0.725426 -1.899960 0.365164
C 0.487592 -1.389813 -0.420451
C 2.559472 -0.145860 0.141239
C 3.340704 0.470006 1.163115
C 2.991582 -0.163630 -1.205692
C 4.566183 1.063000 0.785399
C 2.853746 0.475782 2.597940
C 4.223910 0.438600 -1.549592
C 5.015835 1.053287 -0.557398
H -4.696353 1.693590 -0.598359
H -3.629447 1.638634 -2.048174
H -0.987703 -0.070144 1.495568
H -2.372999 -1.194231 1.571159
H -3.195012 3.097645 1.233290
H -3.601213 1.448473 1.793251
H -1.929265 2.068113 1.954124
H -1.627853 3.443098 -0.772653
H -0.423460 2.268890 -0.158375
H -1.153142 2.028004 -1.772242
H -2.689020 -0.603459 -2.810887
H -3.163129 -2.107013 -1.961060
H -4.420479 -1.065164 -2.688792
H -4.328149 -1.957744 0.343657
H -4.714768 -0.357522 1.045805
H -5.589232 -0.937343 -0.401127
H -1.319783 -2.556763 -0.295094
H 0.153879 -0.670643 -1.192183
H 1.044791 -2.231082 -0.875998
H 0.445279 -2.294393 1.935326
H 2.383962 -0.635208 -1.983089
H 5.177670 1.540798 1.560354
H 3.557048 1.019420 3.251308
H 1.858801 0.951072 2.681754
H 2.744079 -0.553508 2.988983
H 4.557446 0.424075 -2.593175
H 5.970497 1.520443 -0.821013


